Full-dimensional (15-dimensional) ab initio analytical potential energy surface for the H 7 + cluster

Journal of Chemical Physics

Volumn 136, Issue 22, 2012, Pages

  Barragán, Patricia ^a,c   Prosmiti, Rita ^a   Wang, Yimin ^b   Bowman, Joel M ^b  

^a INSTITUTO DE FÍSICA FUNDAMENTAL   (Spain)

^b EMORY UNIVERSITY   (United States)

^c CENTRE LASERS INTENSES ET APPLICATIONS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; AB INITIO POTENTIAL ENERGY SURFACE; BASIS FUNCTIONS; BASIS SETS; DATA SETS; HARMONIC FREQUENCY; INTERACTION ENERGIES; INTERNUCLEAR DISTANCES; INVARIANT POLYNOMIALS; LINEAR LEAST SQUARES; PARAMETERIZED; PERMUTATIONAL SYMMETRY; PERMUTATIONALLY INVARIANT; PERTURBATION THEORY; ROOT-MEAN SQUARE ERRORS; SECOND ORDERS;

DATA FLOW ANALYSIS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

CALCULATIONS;

EID: 84866915235     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4726126     Document Type: Article

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