A general rigorous quantum dynamics algorithm to calculate vibrational energy levels of pentaatomic molecules

Journal of Molecular Spectroscopy

Volumn 256, Issue 2, 2009, Pages 287-298

  Yu, Hua Gen ^a  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

Five atom molecule; Large amplitude motion; Methane and van der Waals complex; Variational calculation; Vibrational spectrum

Indexed keywords

ANGULAR VARIABLES; CO-ORDINATE SYSTEM; DIAGONALIZATION METHOD; DIRECT PRODUCT; DISCRETE VARIABLE REPRESENTATION; EIGENVALUE PROBLEM; FIVE-ATOM MOLECULE; FIXED FRAMES; HAMILTONIAN OPERATORS; LANCZOS; LANCZOS METHODS; LANCZOS VECTORS; LARGE AMPLITUDE; LARGE AMPLITUDE MOTION; ORTHOGONAL SATELLITE VECTORS; QUANTUM DYNAMICS; QUANTUM MECHANICAL; RADIAL COORDINATES; SCATTERING VECTORS; SPECTRAL TRANSFORM; TWO LAYERS; UNIVERSAL PROGRAMS; VAN DER WAALS CLUSTERS; VARIATIONAL ALGORITHMS; VARIATIONAL CALCULATION; VIBRATIONAL ENERGY LEVELS; VIBRATIONAL MOTIONS;

APPROXIMATION ALGORITHMS; ATOMIC SPECTROSCOPY; ATOMS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; HAMILTONIANS; HELIUM; MATHEMATICAL OPERATORS; METHANE; MOLECULES; QUANTUM THEORY; VAN DER WAALS FORCES; VARIATIONAL TECHNIQUES; VECTORS; VIBRATIONAL SPECTRA; VOLTAGE REGULATORS;

SET THEORY;

EID: 67650617684     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2009.06.001     Document Type: Article

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