Density Fitting for QC/MM Interactions-Reference-Cited by-同舟云学术

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Density Fitting for QC/MM Interactions

Published:2022-08-31 Issue:36 Volume:126 Page:6348-6357
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Field Martin J.¹²^ORCID

Affiliation:

1. Laboratoire de Chimie et Biologie des Métaux, UMR5249, Université Grenoble I, CEA, CNRS, 17 avenue des Martyrs, 38054 Cedex 9, Grenoble, France

2. Theory Group, Institut Laue-Langevin, 71 avenue des Martyrs CS 20156, 38042 Cedex 9, Grenoble, France

Funder

Commissariat ? l'?nergie Atomique et aux ?nergies Alternatives

Institut Laue-Langevin

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c05655

Reference23 articles.

1. Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

2. Coulombic potential energy integrals and approximations

3. Electron repulsion integral approximations and error bounds: Molecular applications

4. Calculation of the ionization potentials of ozone and ammonia by a LCAO‐Xα method

5. A new computational approach to Slater’s SCF–Xα equation

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. pDynamo3 Molecular Modeling and Simulation Program;Journal of Chemical Information and Modeling;2022-11-30

2. A density fitting scheme for the fast evaluation of molecular electrostatic potential;Journal of Computational Chemistry;2022-11-21

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