AI 中文总结
本文提出在多小波自适应网格基中实现精确两分量（X2C）方法，通过将耦合算符表示为原子本征态小分量上的投影，实现Dirac Hamiltonian的块对角化。
AI 中文摘要
我们提出了一种方法，在Hilbert空间的自适应非均匀网格基（即多小波）中获得已被证明精确的两分量（X2C）方法，该方法通常应用于Gaussian型固定Hilbert基。X2C方法能够以与能量无关的方式将限制在基子空间内的Dirac Hamiltonian块对角化。该方法借鉴了原子平均场X2C方法在Gaussian基上的成功经验，将耦合算符表示为系统组成原子本征态的小分量上的投影算符。
英文摘要
We present a method to obtain the proven exact 2-component (X2C) method, normally applied to Gaussian-type fixed Hilbert bases, in an adaptative non-uniform grid basis of the Hilbert space, namely Multiwavelets. The X2C method manages to block-diagonalise the Dirac Hamiltonian restricted to the subspace of the basis, in an energy-independent manner. The method takes inspiration from the success of the atomic mean-field X2C method on the Gaussian bases to represent the coupling operator as a projector onto the small components of the eigenstates of the constituent atoms of the system.
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