Sergey Porsev, Andrei Derevianko
Relativistic many-body calculations of van der Waals coefficients C_6 for dimers correlating to two ground state alkaline-earth atoms at large internuclear separations are reported. The following values and uncertainties were determined : C_6 = 214(3) for Be, 627(12) for Mg, 2221(15) for Ca, 3170(196) for Sr, and 5160(74) for Ba in atomic units.
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Alkaline-earth-like transition-metal atoms such as Zn and Cd are promising candidates for precision measurements and quantum many-body physics experiments. Here, we theoretically investigate the properties of diatomic molecules containing these closed-shell atoms. We calculate potential energy curves, permanent electric dipole moments, and spectroscopic constants for molecules consisting of either a Zn or Cd 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 the ab initio electronic structure coupled cluster method with s…
Van der Waals coefficients for interactions of dysprosium and erbium atoms with alkali-metal and alkaline-earth-metal atoms
本文利用虚频率动态偶极极化率积分计算了镝、铒原子与碱金属及碱土金属原子间的各向同性和各向异性C6系数，发现前者大两到三个数量级，为异核量子混合物碰撞建模提供关键参数。
The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali-metal atoms, the alkaline earth atoms, and the inert gases are tabulated along with the resulting values of the atomic static polarizabilities, the atom-surface interaction constants, and the dispersion (or van der Waals) constants for the homonuclear and the heteronuclear diatomic combinations of the atoms.
The static and dynamic properties of the alkaline-earth atoms in their metastable state are computed in a configuration interaction approach with a semi-empirical model potential for the core. Among the properties determined are the scalar and tensor polarizabilities, the quadrupole moment, some of the oscillator strengths and the dispersion coefficients of the van der Waals interaction. A simple method for including the effect of the core on the dispersion parameters is described.
The properties of photoassociation (PA) spectra near the intercombination line (the weak transition between $^{1}S_{0}$ and $^{3}P_{1}$ states) of group II atoms are theoretically investigated. As an example we have carried out a calculation for Calcium atoms colliding at ultra low temperatures of 1 mK, 1 $μ$K, and 1 nK. Unlike in most current photoassociation spectroscopy the Doppler effect can significantly affect the shape of the investigated lines. Spectra are obtained using Ca--Ca and Ca--Ca$^*$ short-range {\it ab initio} potentials and long-range van der Waals and resonance dipole poten…
We explore the prospects for confining alkaline-earth Rydberg atoms in an optical lattice via optical dressing of the secondary core valence electron. Focussing on the particular case of strontium, we identify experimentally accessible magic wavelengths for simultaneous trapping of ground and Rydberg states. A detailed analysis of relevant loss mechanisms shows that the overall lifetime of such a system is limited only by the spontaneous decay of the Rydberg state, and is not significantly affected by photoionization or autoionization. The van der Waals C_6 coefficients for the 5sns series are…
Largely motivated by a number of applications, the van der Waals dispersion coefficients ($C_3$s) of the alkali ions (Li$^+$, Na$^+$, K$^+$ and Rb$^+$), the alkaline-earth ions (Ca$^+$, Sr$^+$, Ba$^+$ and Ra$^+$) and the inert gas atoms (He, Ne, Ar and Kr) with a graphene layer are determined precisely within the framework of Dirac model. For these calculations, we have evaluated the dynamic polarizabilities of the above atomic systems very accurately by evaluating the transition matrix elements employing relativistic many-body methods and using the experimental values of the excitation energi…
The random-phase approximation with exchange (RPAE) is used with a $B$-spline basis to compute dynamic dipole polarizabilities of noble-gas atoms and several other closed-shell atoms (Be, Mg, Ca, Zn, Sr, Cd, and Ba). From these, values of the van der Waals $C_6$ constants for positronium interactions with these atoms are determined and compared with existing data. Our best predictions of $C_6$ for Ps--noble-gas pairs are expected to be accurate to within 1%, and to within a few per cent for the alkaline earths. We also used accurate dynamic dipole polarizabilities from the literature to comput…
Derivations for the higher tensor components of the quadrupole polarizabilities are given and their values for the metastable states of the Ca$^+$, Sr$^+$ and Ba$^+$ alkaline earth-metal ions are estimated. We also give the scalar quadrupole polarizabilities of the ground and metastable states of these ions to compare our results with the previously available theoretical and experimental results. Reasonably good agreement between our calculations with the previous values of scalar quadrupole polarizabilities demonstrate their correctness. The reported scalar and tensor quadrupole polarizabilit…
Long-range interactions of aromatic molecules with alkali-metal and alkaline-earth-metal atoms
本文基于第一性原理计算了芳香分子与碱金属及碱土金属原子复合物的长程色散和诱导相互作用系数，证明包含高阶系数对重现范德华区域能量至关重要，为光谱与散射研究提供了有效解析势能。
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…
Van der Waals interactions, as a result of the exchange of photons between particles, can be altered by modifying the environment through which these photons propagate. As a consequence, phenomena such as the Rydberg blockade mechanism between highly excited atoms or excitons, can be controlled by adding reflecting surfaces. We provide the quantum electrodynamic framework for the van der Waals interaction in the nonretarded limit that is relevant for long-wavelength transitions such as those between Rydberg systems, and show its intimate connection with common static dipole-dipole interactions…
A pair of neutral atoms separated by several microns and prepared in identical s-states of large principal quantum number experience a van der Waals interaction. If microwave fields are used to generate a superposition of s-states with different principal quantum numbers, a null point may be found at which a specific superposition state experiences no van der Waals interaction. An application of this novel Rydberg state in a quantum controlled-Z gate is proposed, which takes advantage of GHz rate transitions to nearby Rydberg states. A gate operation time in the tens of nanoseconds is predicte…
We study the repulsive van der Waals interaction of cold rubidium $70S_{1/2}$ Rydberg atoms by analysis of time-delayed pair correlation functions. After excitation, Rydberg atoms are allowed to accelerate under the influence of the van der Waals force. Their positions are then measured using a single-atom imaging technique. From the average pair correlation function of the atom positions we obtain the initial atom-pair separation and the terminal velocity, which yield the van der Waals interaction coefficient $C_{6}$. The measured $C_{6}$ value agrees well with calculations. The experimental …
1D van der Waals heterostructures (1D vdWH) were recently reported to be successfully synthesized. We perform molecular dynamics simulations to investigate the buckling behavior of a 1D vdWH composed of inner carbon nanotube, a middle boron nitride nanotube and an outer molybdenum disulfide nanotube. We find that as the temperature increases, the 1D vdWH gradully loses its stability and the peak value of compressive stress decreases. Slenderness ratio have a slight influence on the strength and stability of 1D vdWH under axial compression.
A systematic study of the leading isotropic van der Waals coefficients for the alkali-metal atom + molecule and molecule + molecule systems is presented. Dipole moments and static and dynamic dipole polarizabilities are calculated employing high-level quantum chemistry calculations. The dispersion, induction, and rotational parts of the isotropic van der Waals coefficient are evaluated. The known van der Waals coefficients are then used to derive characteristics essential for simple models of the collisions involving the corresponding ultracold polar molecules.
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…
It is demonstrated that weakly bound van der Waals complexes can dissociate in a magnetic field through coupling between the Zeeman levels. The Zeeman predissociation process is shown to be efficient and it can be controlled by external magnetic fields.
Assemblies of Rydberg atoms subject to resonant dipole-dipole interactions form Frenkel excitons. We show that van-der-Waals shifts can significantly modify the exciton wave function, whenever atoms approach each other closely. As a result, attractive excitons and repulsive van-der-Waals interactions can be combined to form stable one-dimensional atom chains, akin to bound aggregates. Here the van-der-Waals shifts ensure a stronger homogeneous delocalisation of a single excitation over the whole chain, enabling it to bind up to six atoms. When brought into unstable configurations, such Rydberg…
Van der Waals coefficients for the heteronuclear alkali-metal dimers of Li, Na, K, Rb, Cs, and Fr are calculated using relativistic ab initio methods augmented by high-precision experimental data. We argue that the uncertainties in the coefficients are unlikely to exceed about 1%.
We have used laser ablation and helium buffer-gas cooling to produce the titanium-helium van der Waals molecule at cryogenic temperatures. The molecules were detected through laser-induced fluorescence spectroscopy. Ground-state Ti-He binding energies were determined for the ground and first rotationally excited states from studying equilibrium thermodynamic properties, and found to agree well with theoretical calculations based on newly calculated ab initio Ti-He interaction potentials, opening up novel possibilities for studying the formation, dynamics, and non-universal chemistry of van der…
Scalar couplings between covalently bound nuclear spins are a ubiquitous feature in nuclear magnetic resonance (NMR) experiments, imparting valuable information to NMR spectra regarding molecular structure and conformation. Such couplings arise due to a second-order hyperfine interaction, and, in principle, the same mechanism should lead to scalar couplings between nuclear spins in unbound van der Waals complexes. Here, we report the first observation of scalar couplings between nuclei in van der Waals molecules. Our measurements are performed in a solution of hyperpolarized ${\rm ^{129}Xe}$ a…
The universal aspects of atom-dimer elastic collisions are investigated within the framework of Faddeev equations. The two-body interactions between the neutral atoms are approximated by the separable potential approach. Our analysis considers a pure van der Waals potential tail as well as soft-core van der Waals interactions permitting us in this manner to address the universally general features of atom-dimer resonant spectra. In particular, we show that the atom-dimer resonances are solely associated with the {\it excited} Efimov states. Furthermore, the positions of the corresponding reson…
Inductive van der Waals Force between Two Quantum Loops
该研究通过量子电动力学方法揭示了两个量子环之间的诱导范德瓦尔-伦敦力，发现其主要表现为吸引力，并提出了一种新的实验平台用于测量单个人工原子之间的范德瓦尔力。
We extend a method (E. Cancès and L.R. Scott, SIAM J. Math. Anal., 50, 2018, 381--410) to compute more terms in the asymptotic expansion of the van der Waals attraction between two hydrogen atoms. These terms are obtained by solving a set of modified Slater-Kirkwood partial differential equations. The accuracy of the method is demonstrated by numerical simulations and comparison with other methods from the literature. It is also shown that the scattering states of the hydrogen atom, that are the states associated with the continuous spectrum of the Hamiltonian, have a major contribution to the…
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