Work

Explicit-by-Implicit Treatment of Natural Orbital Occupations Using First- and Second-Order Optimization Algorithms: A Comparative Study

Year: 2022

Type: article

Source: The Journal of Physical Chemistry A

DOI: 10.1021/acs.jpca.2c02345

Authors: Yi-Fan Yao, Zhang Zhang, Wei-Hai Fang, Neil Qiang Su

Institutions: Nankai University, Beijing Normal University

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: National Natural Science Foundation of China, Ministry of Education of the People's Republic of China, Natural Science Foundation of Tianjin City

Awards: G1780500372, G3227819446, G4525358798, G7622288973

OpenAlex ID: W4290802607

FWCI: 0.82

Cites: 42

Cited by: 11

Related to: 10