The changing features of the molecular intrinsic characteristic contours of H2 molecule in the ground and first excited states calculated by an ab initio method

Journal of Molecular Structure: THEOCHEM

Volumn 579, Issue 1-3, 2002, Pages 73-84

  Zhao, Dong Xia ^a,b   Yang, Zhong Zhi ^a,b  

^a JILIN UNIVERSITY   (China)

^b LIAONING NORMAL UNIVERSITY   (China)

Author keywords

Ab initio method; The first excited state; The ground state; The molecular intrinsic characteristic contour; The potential acting on an electron in a molecule

Indexed keywords

HYDROGEN;

ARTICLE; CALCULATION; CHEMICAL BOND; ENERGY; IONIZATION; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; WAVEFORM;

EID: 0036498301     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(01)00717-5     Document Type: Article

References (28)