Spectroscopic accuracy directly from quantum chemistry: Application to ground and excited states of beryllium dimer

Journal of Chemical Physics

Volumn 140, Issue 10, 2014, Pages

  Sharma, Sandeep ^a   Yanai, Takeshi ^b   Booth, George H ^a   Umrigar, C J ^c   Chan, Garnet Kin Lic ^a  

^a PRINCETON UNIVERSITY   (United States)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c Laboratory of Atomic and Solid State Physics and Sibley School of Mechanical and Aerospace Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BERYLLIUM; COMPUTATIONAL GEOMETRY; EXCITED STATES; MONTE CARLO METHODS; QUANTUM CHEMISTRY; QUANTUM THEORY;

COUPLED-CLUSTER METHODS; DENSITY MATRIX RENORMALIZATION GROUP; EQUILIBRIUM GEOMETRIES; FULL CONFIGURATION INTERACTION; MULTIREFERENCE CONFIGURATION; QUANTUM MONTE CARLO METHODS; QUANTUM-CHEMICAL METHODS; VERTICAL EXCITATION ENERGY;

STATISTICAL MECHANICS;

EID: 84896333886     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4867383     Document Type: Article

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