The electronic temperature and the effective chemical potential parameters of an atom in a molecule. A Fermi–Dirac semi-local variational approach

Author:

Franco-Pérez Marco1ORCID

Affiliation:

1. Facultad de Química, Universidad Nacional Autónoma de México, Cd. Universitaria, 04510 Ciudad de México, Mexico

Abstract

Each atom in a molecule is characterized by specific values of the electronic temperature and the effective chemical potential.

Funder

Consejo Nacional de Ciencia y Tecnología

Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Cited by 2 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. Synthesis, characterization, and quantum chemistry local chemical reactivity description of new phosphorylated derivatives of piperazine;Phosphorus, Sulfur, and Silicon and the Related Elements;2023-03-31

2. Conceptual Density Functional Theory;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2022

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