Optimization of selected molecular orbitals in group basis sets-Reference-Cited by-同舟云学术

Optimization of selected molecular orbitals in group basis sets

Published:2009-04-07 Issue:13 Volume:130 Page:134108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ferenczy György G.,Adams William H.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.3096690

Reference44 articles.

1. P. Sherwood, in Modern Methods and Algorithms of Quantum Chemistry Proceedings, edited by J. Grotendorst (John von Neumann Institute for Computing, Jülich, 2000), Vol. 3, p. 285.

2. A pseudobond approach to combining quantum mechanical and molecular mechanical methods

3. Quantum mechanical computations on very large molecular systems: The local self-consistent field method

4. 1994 Polanyi Award Lecture Concept of active electrons in chemistry

5. The Ab Initio Model Potential Method: A Common Strategy for Effective Core Potential and Embedded Cluster Calculations

Cited by 7 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. Scalable ab initio fragmentation methods based on a truncated expansion of the non-orthogonal molecular orbital model;The Journal of Chemical Physics;2021-10-21

2. Block-Localized Excitation for Excimer Complex and Diabatic Coupling;Journal of Chemical Theory and Computation;2020-12-28

3. Catalyst-Substrate Effects on Biocompatible SABRE Hyperpolarization;ChemPhysChem;2018-11-27

4. Strictly Localised Molecular Orbitals in QM/MM Methods;Protein Modelling;2014

5. Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. II. Application of the local basis equation;Journal of Computational Chemistry;2013-01-03