Removal of singularities in the numerical integrals for anSTO basis set
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference10 articles.
1. A first solution, for LiH, of a molecular transcorrelated wave equation by means of restricted numerical integration
2. The transcorrelated method for accurate correlation energies using gaussian-type functions: examples on He, H2, LiH and H2O
3. The convergence of the lowest eigenvalue of a real nearly-symmetric matrix
4. An application of a transcorrelated procedure to the calculation of the energy of the hydrogen molecule
5. A calculation for the energies and wavefunctions for states of neon with full electronic correlation accuracy
Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Compactification of determinant expansions via transcorrelation;The Journal of Chemical Physics;2024-08-22
2. Transcorrelated selected configuration interaction in a bi-orthonormal basis and with a cheap three-body correlation factor;The Journal of Chemical Physics;2023-09-21
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