Contributions of the two conformers to the microwave spectrum and scattering cross-section of the He-Cl2 van der Waals system, evaluated from an ab initio potential energy surface

Journal of Chemical Physics

Volumn 108, Issue 22, 1998, Pages 9301-9312

  Naumkin, F Y ^a   McCourt, F R W ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CALCULATIONS; CHEMICAL BONDS; CHLORINE; COMPUTER SIMULATION; HELIUM; MATHEMATICAL MODELS; POLYNOMIALS; QUANTUM THEORY;

AB INITIO CALCULATION; AB INITIO POTENTIAL ENERGY SURFACE; ATOM MOLECULE INTERACTION; ATOM-ATOM MODEL; HELIUM CHLORIDE; INFINITE ORDER SUDDEN APPROXIMATION; LEGENDRE POLYNOMIAL; WAVEFUNCTION;

ELECTRON ENERGY LEVELS;

EID: 0032496567     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476419     Document Type: Article

References (36)

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36. The present ab initio PES will be made available as a Fortran code in the file hecl2pot.f in the directory /pub/potentials/ at the site theochem.uwaterloo.ca. To obtain a copy, connect to the site by ftp, use "anonymous" as userid and your e-mail address as password, change to the directory, and issue the command "get hecl2pot.f."