The any particle molecular orbital approach: A short review of the theory and applications
The any particle molecular orbital approach: A short review of the theory and applications
复制标题
任意粒子分子轨道方法：理论和应用的简短回顾
DOI：
10.1002/qua.25705
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发表时间：
2018
影响因子：
2.2
通讯作者：
J. Charry
中科院分区：
文献类型：
--
作者：
A. Reyes;Félix Moncada;J. Charry
任何粒子分子轨道（APMO）方法扩展了常规的电子结构方法，以研究原子和分子系统，其中电子和其他粒子同时被视为量子波。在APMO框架下，一些电子结构方法已被扩展并应用于研究核量子效应，包括同位素效应和核离域，并计算质子结合能和亲和力。此外，APMO方法已被用来分析含有奇异亚原子粒子的原子和分子系统的物理和化学性质。
The any particle molecular orbital (APMO) approach extends regular electronic structure methods to study atomic and molecular systems in which electrons and other particles are treated simultaneously as quantum waves. A number of electronic structure methodologies have been extended under the APMO framework and applied to investigate nuclear quantum effects including isotope effects and nuclear delocalization and to calculate proton binding energies and affinities. In addition, APMO methodologies have been employed to analyze physical and chemical properties of atomic and molecular systems containing exotic subatomic particles.
DOI：
10.1063/1.1990116
发表时间：
2005
期刊：
The Journal of chemical physics
影响因子：
--
作者：
Reyes,Andres;Pak,MichaelV;Hammes-Schiffer,Sharon
通讯作者：
Hammes-Schiffer,Sharon