Relativistic corrections to the non-Born-Oppenheimer energies of the lowest singlet Rydberg states of 3He and 4He

被引：19

作者：

Stanke, Monika ^{[1
]}

Kedziera, Dariusz

Bubin, Sergiy

Adamowicz, Ludwik

机构：

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

[2] Nicholas Copernicus Univ, Inst Phys, PL-87100 Torun, Poland

[3] Nicholas Copernicus Univ, Dept Chem, PL-87100 Torun, Poland

[4] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2007年 / 126卷 / 19期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1063/1.2735305

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：

In this work the authors present an approach to calculate the leading-order relativistic corrections for ground and excited states of helium isotopomers. In the calculations they used variational wave functions expanded in terms of explicitly correlated Gaussians obtained without assuming the Born-Oppenheimer approximation.(C) 2007 American Institute of Physics.

引用

收藏

页数：6

相关论文

共 31 条

[1] Variational calculations of excited states with zero total angular momentum (vibrational spectrum) of H2 without use of the Born-Oppenheimer approximation [J].

Bubin, S ;

Adamowicz, L .

JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (07) :3079-3082

[2]

BUBIN S, IN PRESS PHYS REV A

[3] NON-BORN-OPPENHEIMER VARIATIONAL CALCULATIONS OF ATOMS AND MOLECULES WITH EXPLICITLY CORRELATED GAUSSIAN BASIS FUNCTIONS [J].

Bubin, Sergiy ;

Cafiero, Mauricio ;

Adamowicz, Ludwik .

ADVANCES IN CHEMICAL PHYSICS, VOL 131, 2005, 131 :377-475

[4] Non-Born-Oppenheimer calculations of atoms and molecules [J].

Cafiero, M ;

Bubin, S ;

Adamowicz, L .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2003, 5 (08) :1491-1501

[5] Isotope shifts and nuclear radius measurements for helium and lithium [J].

Drake, GWF ;

Nörtershäuser, W ;

Yan, ZC .

CANADIAN JOURNAL OF PHYSICS, 2005, 83 (04) :311-325

[6] Ionization energies and quantum electrodynamic effects in the lower 1sns and 1snp levels of neutral helium (4He I) [J].

Drake, GWF ;

Martin, WC .

CANADIAN JOURNAL OF PHYSICS, 1998, 76 (09) :679-698

[7] Bethe logarithms for Ps-, H-, and heliumlike atoms [J].

Drake, GWF ;

Goldman, SP .

CANADIAN JOURNAL OF PHYSICS, 1999, 77 (11) :835-845

[8] ANALYTIC EVALUATION OF 3-ELECTRON INTEGRALS [J].

FROMM, DM ;

HILL, RN .

PHYSICAL REVIEW A, 1987, 36 (03) :1013-1044

[9] Highly accurate evaluation of atomic three-electron integrals of lowest orders [J].

Harris, FE ;

Frolov, AM ;

Smith, VH .

JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (21) :9974-9983

[10] Darwin and mass-velocity relativistic corrections in the non-Born-Oppenheimer calculations of pure vibrational states of H2 [J].

Kedziera, Dariusz ;

Stanke, Monika ;

Bubin, Sergiy ;

Barysz, Maria ;

Adamowicz, Ludwik .

JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (01)

← 1 2 3 4 →