Spherical and hyperspherical representation of potential energy surfaces for intermolecular interactions

International Journal of Quantum Chemistry

Volumn 111, Issue 2, 2011, Pages 318-332

  Palazzetti, Federico ^a   Munusamy, Elango ^a   Lombardi, Andrea ^a   Grossi, Gaia ^a   Aquilanti, Vincenzo ^a  

^a Dipartimento di Chimica   (Italy)

Author keywords

(hyper) spherical coordinates; floppy molecules; harmonic expansion; leading configurations

Indexed keywords

ATOMIC AND MOLECULAR INTERACTION; BOUND STATE; CLOSED SHELL SYSTEM; DYNAMICAL CALCULATIONS; FLOPPY MOLECULES; GEOMETRICAL FEATURES; HARMONIC-EXPANSION; HYPERSPHERICAL; INTERACTION POTENTIALS; INTERMOLECULAR INTERACTIONS; LEADING CONFIGURATIONS; SPHERICAL COORDINATES; SYMMETRY PROPERTIES;

EXPANSION; HARMONIC ANALYSIS; INERT GASES; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SPHERES; SURFACE PHENOMENA;

MOLECULES;

EID: 78649709209     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22688     Document Type: Article

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