Resolution of the identity approximation applied to PNOF correlation calculations-Reference-Cited by-同舟云学术

Resolution of the identity approximation applied to PNOF correlation calculations

Published:2021-02-14 Issue:6 Volume:154 Page:064102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Lew-Yee Juan Felipe Huan¹^ORCID,Piris Mario²^ORCID,M. del Campo Jorge¹^ORCID

Affiliation:

1. Departamento de Física y Química Teórica, Facultad de Química, Universidad Nacional Autónoma de México, Mexico City C.P. 04510, Mexico

2. Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain; Euskal Herriko Unibertsitatea (UPV/EHU), PK 1072, 20080 Donostia, Euskadi, Spain; and Basque Foundation for Science (IKERBASQUE), 48009 Bilbao, Euskadi, Spain

Funder

Laboratorio Nacional de Cómputo de Alto Desempeño

Consejo Nacional de Ciencia y Tecnología

Universidad Nacional Autónoma de México

Ministerio de Ciencia, Innovación y Universidades

Eusko Jaurlaritza

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0036404

Reference76 articles.

1. DoNOF: An open-source implementation of natural-orbital-functional-based methods for quantum chemistry

2. Advances in approximate natural orbital functional theory

3. Natural Orbital Functional Theory

4. Natural Orbital Functional Theory

5. Perspective on natural orbital functional theory

Cited by 13 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. Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches;The Journal of Chemical Physics;2024-06-26

2. Time evolution of natural orbitals in ab initio molecular dynamics;The Journal of Chemical Physics;2024-02-16

3. Advances in approximate natural orbital functionals: From historical perspectives to contemporary developments;Advances in Quantum Chemistry;2024

4. Correlation balance for describing carbenes: An NOF study;AIP Advances;2023-06-01

5. Outstanding improvement in removing the delocalization error by global natural orbital functional;The Journal of Chemical Physics;2023-02-24