Towards an energy partition into real space resonance structures: 1- and 2-particle density matrix decomposition-Reference-Cited by-同舟云学术

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Towards an energy partition into real space resonance structures: 1- and 2-particle density matrix decomposition

Published:2015-12-21 Issue:7-8 Volume:114 Page:1334-1344
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Francisco E.¹,Martín Pendás A.¹

Affiliation:

1. Departamento de Química Física y Analítica. Facultad de Química. Universidad de Oviedo. Oviedo. Spain

Funder

Spanish MINECO

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2015.1121296

Reference32 articles.

1. How electrons guard the space: shape optimization with probability distribution criteria

2. Electron number probability distributions for correlated wave functions

3. Spin resolved electron number distribution functions: How spins couple in real space

4. EDF: Computing electron number probability distribution functions in real space from molecular wave functions

5. Electron number distribution functions from molecular wavefunctions. Version 2

Cited by 3 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. Nine questions on energy decomposition analysis;Journal of Computational Chemistry;2019-06-28

2. Reply to the ‘Comment on “Decoding real space bonding descriptors in valence bond language”’ by S. Shaik, P. Hiberty and D. Danovich, Phys. Chem. Chem. Phys., 2019, 21, DOI: 10.1039/C8CP07225F;Physical Chemistry Chemical Physics;2019

3. Energy Partition Analyses: Symmetry-Adapted Perturbation Theory and Other Techniques;Non-Covalent Interactions in Quantum Chemistry and Physics;2017

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