We show that an interplay between quantum effects, strong on-site ferromagnetic exchange interaction and antiferromagnetic correlations in Kondo lattices can give rise to an exotic spin-orbit coupled metallic state in regimes where classical treatments predict a trivial insulating behavior. This phenomenon can be simulated with ultracold alkaline-earth fermionic atoms subject to a laser-induced magnetic field by observing dynamics of spin-charge excitations in quench experiments.
We propose a scheme to investigate the interplay between Kondo-exchange interaction and quantum spin Hall effect with ultracold fermionic alkaline-earth atoms trapped in two-dimensional optical lattices using ultracold collision and laser-assisted tunneling. In the strong Kondo-coupling regime, though the loop trajectory of the mobile atom disappears, collective dynamics of an atom pair in two clock states can exhibit an unexpected spin-dependent cyclotron orbit in a plaquette, realizing the quantum spin Hall effect of the Kondo singlet. We demonstrate that the collective cyclotron dynamics of…
Recent experiment has observed Feshbach resonances between alkaline and alkaline-earth atoms. These Feshbach resonances are insensitive to the nuclear spin of alkaline-earth atoms. Ultilizing this feature, we propose to take this system as a candidate to perform quantum simulation of the Kondo effect. An alkaline atom can form a molecule with an alkaline-earth atom with different nuclear spins, which plays the role of spin-exchange scattering responsible for the Kondo effect. Furthermore, we point out that the existence of three-body bound state and atom-molecule resonance due to the Efimov ef…
A recent experiment has observed the antiferromagnetic interaction between the ground state $^1S_0$ and the metastable state $^3P_0$ of $^{171}$Yb atoms, which are fermionic. This observation combined with the use of state-dependent optical lattices allows for quantum simulation of the Kondo model. We propose that in this Kondo simulator the anomalous temperature dependence of transport, namely the Kondo effect, can be detected through quench dynamics triggered by the shift of a trap potential. For this purpose, we improve the numerical efficiency of the minimally entangled typical thermal sta…
The Kondo effect describes the spin-exchanging interaction between localized impurity and the itinerant fermions. The ultracold alkaline-earth atomic gas provides a natural platform for quantum simulation of the Kondo model, utilizing its long-lived clock state and the nuclear-spin exchanging interaction between the clock state and the ground state. One of the key issue now is whether the Kondo temperature can be high enough to be reached in current experiment, for which we have proposed using a transverse confinement to confine atoms into a one-dimensional tube and to utilize the confinement-…
We study transport properties of alkaline-earth atoms governed by the Kondo Lattice Hamiltonian plus a harmonic confining potential, and suggest simple dynamical probes of several different regimes of the phase diagram that can be implemented with current experimental techniques. In particular, we show how Kondo physics at strong coupling, low density, and in the heavy fermion phase is manifest in the dipole oscillations of the conduction band upon displacement of the trap center.
We demonstrate that laser excitations can coherently induce a novel Kondo effect in ultracold atoms in optical lattices. Using a model of alkaline-earth fermions with two orbitals, it is shown that the optically coupled two internal states are dynamically entangled to form the Kondo-singlet state, overcoming the heating effect due to the irradiation. Furthermore, a lack of SU($N$) symmetry in the optical coupling provides a peculiar feature in the Kondo effect, which results in spin-selective renormalization of effective masses. We also discuss effects of interorbital exchange interactions, an…
We investigate the Kondo effect in an open quantum system, motivated by recent experiments with ultracold alkaline-earth(-like) atoms. Because of inelastic collisions and the associated atom losses, this system is described by a complex-valued Kondo interaction and provides a non-Hermitian extension of the Kondo problem. We show that the non-Hermiticity induces anomalous reversion of renormalization-group flows which violate the $g$-theorem due to non-unitarity and produce a quantum phase transition unique to non-Hermiticity. Furthermore, we exactly solve the non-Hermitian Kondo Hamiltonian us…
Ultracold alkaline-earth atoms have now been widely explored for precision measurements and quantum simulation. Because of its unique atomic structure, alkaline earth atoms possess great advantages for quantum simulation and studying quantum many-body matters, such as simulating synthetic gauge field, Kondo physics and $SU(N)$ physics. To fully explore the potential of ultracold alkaline-earth atoms, these systems also need to be equipped with the capability of tuning the inter-atomic interaction to the strongly interacting regime. Recently several theoretical proposals and experimental demons…
We discuss the collective modes in an alkaline-earth Fermi gas close to an orbital Feshbach resonance. Unlike the usual Feshbach resonance, the orbital Feshbach resonance in alkaline-earth atoms realizes a two-band superfluid system where the fermionic nature of both the open and the closed channel has to be taken into account. We show that apart from the usual Anderson-Bogoliubov mode which corresponds to the oscillation of total density, there also appears the long-sought Leggett mode corresponding to the oscillation of relative density between the two channels. The existence of the phonon a…
Ultracold fermionic alkaline earth atoms confined in optical lattices realize Hubbard models with internal SU(N) symmetries, where N can be as large as ten. Such systems are expected to harbor exotic magnetic physics at temperatures below the superexchange energy scale. Employing quantum Monte Carlo simulations to access the low-temperature regime, we show that after adiabatically loading a weakly interacting gas into the strongly interacting regime of an optical lattice, the final temperature decreases with increasing N. Furthermore, we estimate the temperature scale required to probe correla…
We study the effects of synthetic spin-orbit coupling on the pairing physics in quasi-one-dimensional ultracold Fermi gases of alkaline-earth-metal-like atoms near an orbital Feshbach resonance (OFR). The interplay between spin-orbit coupling and pairing interactions near the OFR leads to an interesting topological Fulde-Ferrell state, where the nontrivial topology of the state is solely encoded in the closed channel with a topologically trivial Fulde-Ferrell pairing in the open channel. We confirm the topological property of the system by characterizing the Zak phase and the edge states. The …
We discuss the geometric phase of Wanner-Stark ladders generated by periodically driven clock states in alkaline-earth(-like) atoms. Using $^{171}$Yb atoms as a concrete example, we show that clock states driven by two detuned clock lasers can be mapped to two-band Wannier-Stark ladders, where dynamics of the system along the ladder is mapped to Bloch oscillations in a one-dimensional topological lattice. When the adiabatic condition is satisfied, the geometric phase accumulated in one period of the oscillation is quantized, and reveals the change of band topology as the laser parameters are t…
We study the two-body problem of the ultracold fermionic alkaline-earth (like) atoms in the electronic $^1$S$_0$ state ($g$-state) and $^3$P$_0$ state ($e$-state), which are confined in a quasi-one-dimensional (quasi-1D) tube. In addition, in the axial direction, the $g$-atom experience a 1D optical lattice and the $e$-atom is localized by a harmonic potential. In this work, we propose two appropriate tight-binding models, which are applicable for the cases that the odd-wave scattering between the $g$- and $e$-atom is negligible or not, respectively. We further give a microscopic derivation fo…
The joint action of a synthetic gauge potential and of atomic contact repulsion in a one-dimensional alkaline-earth(-like) fermionic gas with nuclear spin I leads to the existence of a hierarchy of fractional insulating and conducting states with intriguing properties. We unveil the existence and the features of those phases by means of both analytical bosonization techniques and numerical methods based on the density-matrix renormalization group algorithm. In particular, we show that the gapless phases can support helical modes, whereas the gapped states, which appear under certain conditions…
We analyze a microscopic mechanism behind coexistence of a heavy Fermi liquid and geometric frustration in Kondo lattices. We consider a geometrically frustrated periodic Anderson model and demonstrate how orbital fluctuations lead to a Kondo-screened phase in the limit of extreme strong frustration when only local {\it singlet} states participate in the low-energy physics. We also propose a setup to realize and study this exotic state with $SU (3)$-symmetric alkaline-earth cold atoms.
We study the impurity problem in a Fermi gas of $^{173}$Yb atoms near an orbital Feshbach resonance, where a single moving particle in the $^3P_0$ state interacting with two background Fermi seas of particles in different nuclear states of the ground $^1S_0$ manifold. By employing wave function ansatzs for molecule and polaron states, we investigate various properties of the molecule, the attractive polaron, and the repulsive polaron states. We find that in comparison to the case of only one Fermi sea is populated, the presence of an additional Fermi sea acts as an energy shift between the two…
We characterize properties of the so-called repulsive polaron across the recently discovered orbital Feshbach resonance in alkaline-earth(-like) atoms. Being a metastable quasiparticle excitation at the positive energy, the repulsive polaron is induced by the interaction between an impurity atom and a Fermi sea. By analyzing in detail the energy, the polaron residue, the effective mass, and the decay rate of the repulsive polaron, we reveal interesting features that are intimately related to the two-channel nature of the orbital Feshbach resonance. In particular, we find that the life time of …
We have achieved Bose-Einstein condensation of $^{40}$Ca, the first for an alkaline earth element. The influence of elastic and inelastic collisions associated with the large ground state s-wave scattering length of $^{40}$Ca was measured. From these findings, an optimized loading and cooling scheme was developed that allowed us to condense about $2 \cdot 10^4$ atoms after laser cooling in a two-stage magneto-optical trap and subsequent forced evaporation in a crossed dipole trap within less than 3 s. The condensation of an alkaline earth element opens novel opportunities for precision measure…
We study the effect of the coupling between the electronic ground state of high spin alkaline-earth fermionic atoms and their metastable optically excited state, when the system is confined in a one-dimensional chain, and show that the system provides a possible realization of a finite momentum pairing (Fulde-Ferrell-Larkin-Ovchinnikov-like) state without spin- or bare mass imbalance. We determine the $β$-functions of the renormalization group trajectories for general spin and analyze the structure of the possible gapped and gapless states in the hydrodynamic limit. Due to the SU(N) symmetry i…
Motivated by recent progresses on ultracold alkaline-earth atoms towards the goal of simulating Kondo physics, in this work we exactly solve the few-body problem of one and two trapped fermions in one dimension interacting with a localized impurity under tunable spin-exchange interaction. It is found that depending on the sign of the spin-exchange coupling, ferromagnetic(FM) or anti-ferromagnetic(AFM), the attractive and repulsive branches can hold different magnetic structures. For the two fermions case, we demonstrate the Kondo screening effect for the attractive branch with AFM coupling, an…
We propose a scheme to realize the Kondo model with tunable anisotropy using alkaline-earth atoms in an optical lattice. The new feature of our setup is Floquet engineering of interactions using time-dependent Zeeman shifts, that can be realized either using state-dependent optical Stark shifts or magnetic fields. The properties of the resulting Kondo model strongly depend on the anisotropy of the ferromagnetic interactions. In particular, easy-plane couplings give rise to Kondo singlet formation even though microscopic interactions are all ferromagnetic. We discuss both equilibrium and dynami…
Topological superfluids are of technological relevance since they are believed to host Majorana bound states, a powerful resource for quantum computation and memory. Here we propose to realize topological superfluidity with fermionic atoms in an optical lattice. We consider a situation where atoms in two internal states experience different lattice potentials: one species is localized and the other itinerant, and show how quantum fluctuations of the localized fermions give rise to an attraction and strong spin-orbit coupling in the itinerant band. At low temperature, these effects stabilize a …
We study the confinement-induced resonance (CIR) of $^{173}$Yb atoms near an orbital Feshbach resonance in a quasi-one-dimensional tube with transversal anisotropy. By solving the two-body scattering problem, we obtain the location of CIR for various anisotropy ratio and magnetic field. Our results show that the anisotropy of the trapping potential can serve as an additional knob to tune the location of CIR. In particular, one can shift the location of CIR to the region attainable in current experiment. We also study the energy spectrum of the system and analyze the properties of CIR from the …
The phase diagram of one-dimensional earth-alkaline fermionic atoms and ytterbium 171 atoms is investigated by means of a low-energy approach and density-matrix renormalization group calculations. For incommensurate filling, four gapless phases with a spin gap are found and consist of two superconducting instabilities and two coexisting bond and charge density-waves instabilities. In the half-filled case, seven Mott-insulating phases arise with the emergence of four non-degenerate phases with exotic hidden orderings.
We study Mott insulators of fermionic alkaline earth atoms, described by Heisenberg spin models with enhanced SU(N) symmetry. In dramatic contrast to SU(2) magnetism, more than two spins are required to form a singlet. On the square lattice, the classical ground state is highly degenerate and magnetic order is thus unlikely. In a large-N limit, we find a chiral spin liquid ground state with topological order and Abelian fractional statistics. We discuss its experimental detection. Chiral spin liquids with non-Abelian anyons may also be realizable with alkaline earth atoms.
We theoretically investigate zero-temperature magnetic ordering of mixtures of spin-1 (alkali atoms) and spin-0 (alkaline-earth atoms) bosons in a three-dimensional optical lattice. With the single-mode approximation for the spin-1 bosons, we obtain an effective Bose-Hubbard model for describing the heteronuclear mixtures in optical lattices. By controlling the interspecies interactions between alkali and alkaline-earth atoms, we map out complete phase diagrams of the system with both positive and negative spin-dependent interactions for spin-1 atoms, based on bosonic dynamical mean-field theo…
We study a class of SU(N) Heisenberg models, describing Mott insulators of fermionic ultra-cold alkaline earth atoms on the three-dimensional simple cubic lattice. Based on an earlier semiclassical analysis, magnetic order is unlikely, and we focus instead on a solvable large-N limit designed to address the competition among non-magnetic ground states. We find a rich phase diagram as a function of the filling parameter k, composed of a variety of ground states spontaneously breaking lattice symmetries, and in some cases also time reversal symmetry. One particularly striking example is a state …
We present a method for creating a quantum degenerate gas of metastable alkaline-earth atoms. This has yet to be achieved due to inelastic collisions that limit evaporative cooling in the metastable states. Quantum degenerate samples prepared in the $^{1}S_{0}$ ground state can be rapidly transferred to either the $^{3}P_{2}$ or $^{3}P_{0}$ state via a coherent 3-photon process. Numerical integration of the density matrix evolution for the fine structure of bosonic alkaline-earth atoms shows that transfer efficiencies of $\simeq90\%$ can be achieved with experimentally feasible laser parameter…
We propose and demonstrate a new magneto-optical trap (MOT) for alkaline-earth-metal-like (AEML) atoms where the narrow $^{1}S_{0}\rightarrow$$^{3}P_{1}$ transition and the broad $^{1}S_{0}\rightarrow$$^{1}P_{1}$ transition are spatially arranged into a core-shell configuration. Our scheme resolves the main limitations of previously adopted MOT schemes, leading to a significant increase in both the loading rate and the steady state atom number. We apply this scheme to $^{174}$Yb MOT, where we show about a hundred-fold improvement in the loading rate and ten-fold improvement in the steady state…
We study spin liquid phases of spin-5/2 alkaline earth atoms on a honeycomb lattice at finite temperatures. Our analysis is based on a Gutzwiller projection variational approach recast to a path-integral formalism. In the framework of a saddle-point approximation we determine spin liquid phases with lowest free energy and study their temperature dependence. We identify a critical temperature, where all the spin liquid phases melt and the system goes to the paramagnetic phase. We also study the stability of the saddle-point solutions and show that a time-reversal symmetry breaking state, a so c…
We investigate the existence of symmetry-protected topological phases in one-dimensional alkaline-earth cold fermionic atoms with general half-integer nuclear spin I at half filling. In this respect, some orbital degrees of freedom are required. They can be introduced by considering either the metastable excited state of alkaline-earth atoms or the p-band of the optical lattice. Using complementary techniques, we show that SU(2) Haldane topological phases are stabilised from these orbital degrees of freedom. On top of these phases, we find the emergence of topological phases with enlarged SU(2…
We realize simultaneous quantum degeneracy in mixtures consisting of the alkali and alkalineearth-like atoms Li and Yb. This is accomplished within an optical trap by sympathetic cooling of the fermionic isotope 6Li with evaporatively cooled bosonic 174Yb and, separately, fermionic 173Yb.Using cross-thermalization studies, we also measure the elastic s-wave scattering lengths of both Li-Yb combinations, |a6Li-174Yb| = 1.0\pm0.2 nm and |a6Li-173Yb| = 0.9\pm0.2 nm. The equality of these lengths is found to be consistent with mass-scaling analysis. The quantum degenerate mixtures of Li and Yb, as…
Trapped neutral atoms have become a prominent platform for quantum science, where entanglement fidelity records have been set using highly-excited Rydberg states. However, controlled two-qubit entanglement generation has so far been limited to alkali species, leaving the exploitation of more complex electronic structures as an open frontier that could lead to improved fidelities and fundamentally different applications such as quantum-enhanced optical clocks. Here we demonstrate a novel approach utilizing the two-valence electron structure of individual alkaline-earth Rydberg atoms. We find fi…
We report on a dynamical mean-field theoretical analysis of emerging low-temperature phases in multicomponent gases of fermionic alkaline-earth(-like) atoms in state-dependent optical lattices. Using the example of $^{173}$Yb atoms, we show that a two-orbital mixture with two nuclear spin components is a promising candidate for studies of not only magnetic but also staggered orbital ordering peculiar to certain solid-state materials. We calculate and study the phase diagram of the full Hamiltonian with parameters similar to existing experiments and reveal an antiferroorbital phase. This long-r…
We calculate experimentally relevant properties of trapped fermionic alkaline earth atoms in an optical lattice, modeled by the SU(N) Hubbard model. Our calculation is accurate when the temperature is much larger than the tunneling rate, similar to current regimes in ultracold atom experiments. In addition to exploring the Mott insulator-metal crossover, we calculate final temperatures achieved by the standard experimental protocol of adiabatically ramping from a non-interacting gas, as a function of initial gas temperature and final state lattice parameters. Of particular experimental interes…
Recent experimental progress with Alkaline-Earth atoms has opened the door to quantum computing schemes in which qubits are encoded in long-lived nuclear spin states, and the metastable electronic states of these species are used for manipulation and readout of the qubits. Here we discuss a variant of these schemes, in which gate operations are performed in nuclear-spin-dependent optical lattices, formed by near-resonant coupling to the metastable excited state. This provides an alternative to a previous scheme [A. J. Daley, M. M. Boyd, J. Ye, and P. Zoller, Phys. Rev. Lett 101, 170504 (2008)]…
Alkaline-earth(-like) ultracold atoms, trapped in optical lattices and in the presence of an external gauge field, can stabilise Mott insulating phases characterised by density and magnetic order. We show that this property can be used to realise a topological fractional pump. Our analysis is based on a many-body adiabatic expansion and on time-dependent matrix-product-states numerical simulations. We characterise the pumping protocol by including both finite-size and non-adiabatic corrections. For a specific form of atom-atom interaction, we present an exactly-solvable model of a fractional p…
We calculate the collective modes of ultracold trapped alkaline-earth fermionic atoms, which possess an SU($N$) symmetry of the nuclear spin degree of freedom, and a controllable $N$, with $N$ as large as $10$. We calculate the breathing and quadrupole modes of two-dimensional and three-dimensional harmonically trapped gases in the normal phase. We particularly concentrate on two-dimensional gases, where the shift is more accessible experimentally, and the physics has special features. We present results as a function of temperature, interaction strength, density, and $N$. We include calculati…
We first show that the many-body Hamiltonian governing the physical properties of an alkaline-earth Yb-173 Fermi gas across the recently-realized orbital Feshbach resonance is exactly analogous to that of two-band s-wave superconductors with contact interactions: i.e., even though the free-particle bands have a tunable energy offset in between and are coupled by a Josephson-type attractive inter-band pair scattering, the intra-band interactions have exactly the same strength. We then introduce two intra-band order parameters within the BCS mean-field approximation, and investigate the competit…
Alkaline-earth-metal atoms exhibit long-range dipolar interactions, which are generated via the coherent exchange of photons on the 3P_0-3D_1-transition of the triplet manifold. In case of bosonic strontium, which we discuss here, this transition has a wavelength of 2.7 μm and a dipole moment of 2.46 Debye, and there exists a magic wavelength permitting the creation of optical lattices that are identical for the states 3P_0 and 3D_1. This interaction enables the realization and study of mixtures of hard-core lattice bosons featuring long-range hopping, with tuneable disorder and anisotropy. We…
We discuss the quantum simulation of symmetry-protected topological (SPT) states for interacting fermions in quasi-one-dimensional gases of alkaline-earth-like atoms such as $^{173}$Yb. Taking advantage of the separation of orbital and nuclear-spin degrees of freedom in these atoms, we consider Raman-assisted spin-orbit couplings in the clock states, which, together with the spin-exchange interactions in the clock-state manifolds, give rise to SPT states for interacting fermions. We numerically investigate the phase diagram of the system, and study the phase transitions between the SPT phase a…
We theoretically characterize interactions, energetics, and chemical reaction paths in ionic two-body and three-body systems of alkali-metal and alkaline-earth-metal atoms in the context of modern experiments with cold hybrid ion-atom mixtures. Using \textit{ab initio} techniques of quantum chemistry such as the coupled-cluster method, we calculate ground-state electronic properties of all diatomic $AB^+$ and most of triatomic $A_2B^+$ molecular ions consisting of Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba, and Yb atoms. Different geometries and wave-function symmetries of the ground state are found fo…
We theoretically investigate the properties of highly polar diatomic molecules containing $^2S$-state transition-metal atoms. We calculate potential energy curves, permanent electric dipole moments, spectroscopic constants, and leading long-range dispersion-interaction coefficients for molecules consisting of either a Cu or Ag atom interacting with an alkali-metal (Li, Na, K, Rb, Cs, Fr) or alkaline-earth-metal (Be, Mg, Ca, Sr, Ba, Ra) atom. We use ab initio electronic structure methods, such as the coupled cluster and configuration interaction ones, with large Gaussian basis sets and small-co…
Fermionic alkaline-earth atoms have unique properties that make them attractive candidates for the realization of novel atomic clocks and degenerate quantum gases. At the same time, they are attracting considerable theoretical attention in the context of quantum information processing. Here we demonstrate that when such atoms are loaded in optical lattices, they can be used as quantum simulators of unique many-body phenomena. In particular, we show that the decoupling of the nuclear spin from the electronic angular momentum can be used to implement many-body systems with an unprecedented degre…
We investigate one dimensional SU$(N)$ Hubbard chains at zero temperature, which can be emulated with ultracold alkaline earth atoms, by using the density matrix renormalization group (DMRG), Bethe ansatz (BA), and bosonization. We compute experimental observables and use the DMRG to benchmark the accuracy of the Bethe ansatz for $N>2$ where the BA is only approximate. In the worst case, we find a relative error $ε\lesssim 4%$ in the BA ground state energy for $N \leq 4$ at filling 1/N, which is due to the fact that BA improperly treats the triply and higher occupied states. Using the DMRG for…
We demonstrate single-shot imaging and narrow-line cooling of individual alkaline earth atoms in optical tweezers; specifically, strontium-88 atoms trapped in $515.2~\text{nm}$ light. We achieve high-fidelity single-atom-resolved imaging by detecting photons from the broad singlet transition while cooling on the narrow intercombination line, and extend this technique to highly uniform two-dimensional arrays of $121$ tweezers. Cooling during imaging is based on a previously unobserved narrow-line Sisyphus mechanism, which we predict to be applicable in a wide variety of experimental situations.…
We consider collisional studies of linear polyatomic ions immersed in ultracold atomic gases and investigate the intermolecular interactions and chemical reactions of several molecular anions ($\mathrm{OH}^-$, $\mathrm{CN}^-$, $\mathrm{NCO}^-$, $\mathrm{C}_2\mathrm{H}^-$, $\mathrm{C}_4\mathrm{H}^-$) with alkali-metal (Li, Na, K, Rb, Cs) and alkaline-earth-metal (Mg, Ca, Sr, Ba) atoms. State-of-the-art ab initio techniques are applied to compute the potential energy surfaces (PESs) for these systems. The coupled cluster method restricted to single, double, and noniterative triple excitations, C…
Ultracold gases of fermionic alkaline-earth (like) atoms are hopeful candidates for the quantum simulation of many-body physics induced by magnetic impurities (e.g., the Kondo physics), because there are spin-exchange interactions (SEIs) between two atoms in the electronic ground ($^1$S$_0$) and metastable ($^3$P) state, respectively. Nevertheless, this SEI cannot be tuned via magnetic Feshbach resonance. In this work we propose three methods to control the SEI between one atom in the $^1$S$_0$ state and another atom in the $^3$P$_2$ states or $^3$P$_2$-$^3$P$_0$ dressed states, with one or tw…
We consider collisional properties of polyatomic aromatic hydrocarbon molecules immersed into ultracold atomic gases and investigate intermolecular interactions of exemplary benzene, naphthalene, and azulene with alkali-metal (Li, Na, K, Rb, Cs) and alkaline-earth-metal (Mg, Ca, Sr, Ba) atoms. We apply the state-of-the-art \textit{ab initio} techniques to compute the potential energy surfaces (PESs). We use the coupled cluster method restricted to single, double, and noniterative triple excitations to reproduce the correlation energy and the small-core energy-consistent pseudopotentials to mod…
