Published April 1, 1992
| Version v1
Journal article
Double-minimum potential-energy curves resulting from adiabatic effects: The 4s 3Σg+ state of the hydrogen molecule
Creators
- 1. Department of Chemistry, University of Wyoming, Laramie, Wyoming 82071 (United States)
- 2. Department of Chemistry, A. Mickiewicz University, ul. Grunwaldzka 6, 60-780 Poznan (Poland)
Description
Born-Oppenheimer potential-energy curve and adiabatic corrections for the 4s 3Σg+ state of the hydrogen molecule have been computed using an explicitly correlated wave function in elliptic coordinates. It is shown that, in contrast to the Born-Oppenheimer results, the adiabatic potential-energy curve for this state is characterized by a double-minimum function. The energies of the vibrational levels and rotational constants have also been computed. Large and irregular differences have been found between thoeretical and experimental results
Additional details
Publishing Information
- Journal Title
- Physical Review. A
- Journal Volume
- 45
- Journal Issue
- 7
- Journal Page Range
- p. 5270-5273.
- ISSN
- 1050-2947
- CODEN
- PLRAAN
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 24021020
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ADIABATIC APPROXIMATION; BORN-OPPENHEIMER APPROXIMATION; CORRECTIONS; DIAGRAMS; ELECTRONIC STRUCTURE; EXCITED STATES; HYDROGEN; MOLECULES; POTENTIAL ENERGY; ROTATIONAL STATES; VIBRATIONAL STATES
- Descriptors DEC
- ELEMENTS; ENERGY; ENERGY LEVELS; INFORMATION; NONMETALS