A quantum-mechanical non-Born-Oppenheimer model of a molecule in a strong magnetic field

被引：5

作者：

Adamowicz, Ludwik ^{[1
,2
]}

Stanke, Monika ^{[3
]}

Tellgren, Erik ^{[4
]}

Helgaker, Trygve ^{[4
]}

机构：

[1] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA

[2] Nicolaus Copernicus Univ, Interdisciplinary Ctr Modern Technol, Ul Wilenska 4, PL-87100 Torun, Poland

[3] Nicolaus Copernicus Univ, Fac Phys Astron & Informat, Inst Phys, Ul Grudziadzka 5, PL-87100 Torun, Poland

[4] Univ Oslo, Hylleraas Ctr Quantum Mol Sci, Dept Chem, POB 1033, N-0315 Oslo, Norway

来源：

CHEMICAL PHYSICS LETTERS | 2020年 / 761卷 / 761期

基金：

美国国家科学基金会; 欧洲研究理事会;

关键词：

HYDROGEN MOLECULE; HD MOLECULE;

D O I：

10.1016/j.cplett.2020.138041

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：

Interactions of a stationary external magnetic field with the spin and orbital magnetic momenta of a molecule are included in the quantum mechanical model where the Born-Oppenheimer approximation is not assumed. The model is used to calculate some of the lowest-lying internal bound states of the molecule for various strengths of the magnetic field. All-particle explicitly correlated Gaussian functions are used in the calculations.

引用

页数：7

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