Full configuration interaction pseudopotential determination of the ground-state potential energy curves of Li2 and LiH

International Journal of Quantum Chemistry

Volumn 103, Issue 5, 2005, Pages 711-717

  Maniero, Angelo M ^a   Acioli, Paulo H ^a  

^a UNIVERSITY OF BRASILIA   (Brazil)

Author keywords

Full configuration interaction (full ci); Norm conserving pseudopotentials; Potential energy surfaces (pes)

Indexed keywords

APPROXIMATION THEORY; ELECTRON ENERGY LEVELS; ELECTRON SCATTERING; GROUND STATE; INTERFACIAL ENERGY; MOLECULAR VIBRATIONS; MONTE CARLO METHODS; POTENTIAL ENERGY;

DISCRETE VARIABLES; FULL CONFIGURATION INTERACTION (CI); NORM-CONSERVING PSEUDOPOTENTIALS; POTENTIAL ENERGY SURFACES (PES);

LITHIUM COMPOUNDS;

EID: 20844463730     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20593     Document Type: Conference Paper

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