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Relativistic corrections to the ground state of H-2 calculated without using the Born-Oppenheimer approximation
Wang, L. M.1; Yan, Z-C2,3,4
2018-06-08
Source PublicationPHYSICAL REVIEW A
Volume97Issue:6
SubtypeArticle
AbstractThe Schrodinger equation for the ground state of the hydrogen molecule H-2 is solved by applying the Rayleigh-Ritz variational method in Hylleraas coordinates without using the Born-Oppenheimer approximation. The nonrelativistic energy eigenvalue is converged to -1.164 025 030 880(7) atomic units. The leading-order relativistic corrections, including the mass-velocity, Darwin, orbit-orbit, spin-spin, and relativistic recoil terms, are evaluated perturbatively. Together with the higher-order relativistic and quantum electrodynamic corrections obtained by Puchalski et al. [Phys. Rev. Lett. 117, 263002 (2016)], we determine the dissociation energy of the hydrogen molecule, D-0 = 36 118.069 71(33) cm(-1), which agrees with the two recent experimental results of Liu et al. [J. Chem. Phys. 130, 174306 (2009)], 36 118.069 62(37) cm(-1), and Altmann et al. [Phys. Rev. Lett. 120, 043204 (2018)], 36 118.069 45(31) cm(-1).
WOS HeadingsScience & Technology ; Physical Sciences
Funding OrganizationChinese National Natural Science Foundation(11404101) ; Chinese National Natural Science Foundation(11404101) ; NSERC of Canada ; NSERC of Canada ; CAS/SAFEA International Partnership Program for Creative Research Teams ; CAS/SAFEA International Partnership Program for Creative Research Teams ; Chinese National Natural Science Foundation(11404101) ; Chinese National Natural Science Foundation(11404101) ; NSERC of Canada ; NSERC of Canada ; CAS/SAFEA International Partnership Program for Creative Research Teams ; CAS/SAFEA International Partnership Program for Creative Research Teams
DOI10.1103/PhysRevA.97.060501
WOS KeywordATOMIC SPECTRA ; NUCLEAR
Indexed BySCI
Language英语
Funding OrganizationChinese National Natural Science Foundation(11404101) ; Chinese National Natural Science Foundation(11404101) ; NSERC of Canada ; NSERC of Canada ; CAS/SAFEA International Partnership Program for Creative Research Teams ; CAS/SAFEA International Partnership Program for Creative Research Teams ; Chinese National Natural Science Foundation(11404101) ; Chinese National Natural Science Foundation(11404101) ; NSERC of Canada ; NSERC of Canada ; CAS/SAFEA International Partnership Program for Creative Research Teams ; CAS/SAFEA International Partnership Program for Creative Research Teams
WOS Research AreaOptics ; Physics
WOS SubjectOptics ; Physics, Atomic, Molecular & Chemical
WOS IDWOS:000434759300001
Citation statistics
Cited Times:15[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.apm.ac.cn/handle/112942/11986
Collection理论与交叉研究部
Affiliation1.Henan Normal Univ, Dept Phys, Xinxiang 453007, Henan, Peoples R China
2.Univ New Brunswick, Dept Phys, Fredericton, NB E3B 5A3, Canada
3.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Hubei, Peoples R China
4.Chinese Acad Sci, Ctr Cold Atom Phys, Wuhan 430071, Hubei, Peoples R China
Recommended Citation
GB/T 7714
Wang, L. M.,Yan, Z-C. Relativistic corrections to the ground state of H-2 calculated without using the Born-Oppenheimer approximation[J]. PHYSICAL REVIEW A,2018,97(6).
APA Wang, L. M.,&Yan, Z-C.(2018).Relativistic corrections to the ground state of H-2 calculated without using the Born-Oppenheimer approximation.PHYSICAL REVIEW A,97(6).
MLA Wang, L. M.,et al."Relativistic corrections to the ground state of H-2 calculated without using the Born-Oppenheimer approximation".PHYSICAL REVIEW A 97.6(2018).
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