Vibrational energies for NH3 based on high level ab initio potential energy surfaces

Journal of Chemical Physics

Volumn 117, Issue 24, 2002, Pages 11265-11276

  Lin, Hai ^a   Thiel, Walter ^a   Yurchenko, Sergei N ^b   Carvajal, Miguel ^b   Jensen, Per ^b  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^b UNIVERSITY OF WUPPERTAL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BORN-OPPENHEIMER CORRECTION; COMPLETE BASIS SET; CORE VALENCE CORRELATION CONTRIBUTION; DIPOLE MOMENT SURFACES; ISOTOPOMERS; POTENTIAL ENERGY SURFACES;

APPROXIMATION THEORY; CHEMICAL BONDS; EIGENVALUES AND EIGENFUNCTIONS; EXTRAPOLATION; GROUND STATE; HAMILTONIANS; INTERPOLATION; MATRIX ALGEBRA; OPTIMIZATION; POLYNOMIALS; QUANTUM THEORY; VECTORS;

AMMONIA;

EID: 0037461527     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1521762     Document Type: Article

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