Relationships between Cumulant and Spin-Density Matrices: Application to the Decomposition of Spin-Reference-Cited by-同舟云学术

Relationships between Cumulant and Spin-Density Matrices: Application to the Decomposition of Spin

Published:2010-01-19 Issue:6 Volume:114 Page:2344-2349
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Torre Alicia¹,Alcoba Diego R.¹,Lain Luis¹,Bochicchio Roberto C.¹

Affiliation:

1. Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644 E48080 Bilbao, Spain and Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, 1428, Buenos Aires, Argentina

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9090848

Reference51 articles.

1. Approximate solution for electron correlation through the use of Schwinger probes

2. Cumulant expansion of the reduced density matrices

3. Normal order and extended Wick theorem for a multiconfiguration reference wave function

4. Complete reconstruction of reduced density matrices

5. Cumulant-based approximations to reduced density matrices

Cited by 21 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. Generalized spin σ-SCF method;The Journal of Chemical Physics;2023-12-04

2. Atoms in molecules in real space: a fertile field for chemical bonding;Physical Chemistry Chemical Physics;2023

3. An orbital localization criterion based on the topological analysis of the electron localization function at correlated level;International Journal of Quantum Chemistry;2018-02-06

4. Determination of exchange coupling constants in linear polyradicals by means of local spins;Theoretical Chemistry Accounts;2017-02-20

5. Natural bond orbitals: Local sets showing minimal intra-pair correlations and minimal unpaired electron populations;Computational and Theoretical Chemistry;2017-01