Quantum solvent states and rovibrational spectra of small doped H3 e clusters through the full-configuration-interaction nuclear orbital approach: The (3He)N - Cl2 (X) case (N≤4)

Journal of Chemical Physics

Volumn 132, Issue 19, 2010, Pages

  De Lara Castells, María Pilar ^a   Aguirre, Ństor F ^a   Villarreal, Pablo ^a   Barrio, Gerardo Delgado ^a   Mitrushchenkov, Alexander O ^b  

^a INSTITUTO DE FÍSICA FUNDAMENTAL   (Spain)

^b Université Paris Est Créteil   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CLOSE-IN; CONFIGURATION INTERACTIONS; DOPANT SPECIES; GLOBAL ENERGY; HE ATOMS; HOST MOLECULES; LINEAR CONFIGURATION; LINEAR CONFORMATION; MICROSCOPIC ANALYSIS; MOLECULAR AXIS; NUCLEAR ORBITALS; ONE-PARTICLE BASIS SETS; POTENTIAL FUNCTION; PROPER MODELING; RAMAN SPECTRA; ROVIBRATIONAL SPECTRUM; SEMI-EMPIRICAL;

ANISOTROPY; ATOMS; COMPLEXATION; ELECTRON TRANSITIONS; GROUND STATE; RAMAN SPECTROSCOPY; SAFETY DEVICES; SOLVENTS;

DOPING (ADDITIVES);

EID: 77953012594     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3425997     Document Type: Article

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