Accurate calculation of core-electron binding energies: Multireference perturbation treatment

Journal of Chemical Physics

Volumn 121, Issue 16, 2004, Pages 7586-7594

  Shirai, Soichi ^a   Yamamoto, Satoru ^a   Hyodo, Shi Aki ^a  

^a Rd Management Section   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACETIC ACID; AMMONIA; APPROXIMATION THEORY; CORRELATION METHODS; ELECTROMAGNETIC WAVE POLARIZATION; GROUND STATE; IONIZATION; MATHEMATICAL MODELS; OPTIMIZATION; PERTURBATION TECHNIQUES; RELATIVITY; RELAXATION PROCESSES; X RAY PHOTOELECTRON SPECTROSCOPY;

ANGULAR MOMENTA; MULTICONFIGURATIONAL SELF-CONSISTENT FIELDS (MCSCF); MULTIREFERENCE PERTURBATION THEORY (MRPT); SPIN-ORBIT COUPLINGS;

BINDING ENERGY;

EID: 8344239734     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1799911     Document Type: Review

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