The effect of confinement on the electronic energy and polarizability of a hydrogen molecular ion

被引：14

作者：

da Silva, Josimar Fernando ^{[1
]}

Silva, Fabricio Ramos ^{[1
]}

Drigo Filho, Elso ^{[1
,2
,3
]}

机构：

[1] Univ Estadual Paulista, Inst Biociencias, Dept Fis, Letras E Ciencias Exatas, BR-15054000 Sao Paulo, Brazil

[2] Univ Valladolid, Dept Fis Teor, Atom & Opt, E-47011 Valladolid, Spain

[3] Univ Valladolid, IMUVA Inst Matemat, E-47011 Valladolid, Spain

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2016年 / 116卷 / 07期

基金：

巴西圣保罗研究基金会;

关键词：

variational method; confined molecule; hydrogen molecular ion; electronic energy; polarizability; ATOM; PRESSURE; BOX;

D O I：

10.1002/qua.25084

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The electronic energy and the polarizability of a confined hydrogen molecular ion in the ground state and the first excited state, for cavities of different volumes, are calculated using the variational method. In the treatment adopted an alternative molecular wave function is introduced with only one variational parameter and based on wave functions used for confined atoms. (c) 2016 Wiley Periodicals, Inc.

引用

页码：497 / 503

页数：7

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