Obtaining positions and widths of scattering resonances from a complex multiconfigurational self-consistent field state using the m1 method

International Journal of Quantum Chemistry

Volumn 110, Issue 4, 2010, Pages 798-812

  Samanta, Kousik ^a   Yeager, Danny L ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

Author keywords

CMCSCF; CMCSTEP; Complex scaling; MCSCF; Resonances

Indexed keywords

BIORTHOGONAL; CLOSE-IN; CMCSCF; COMPLETE ACTIVE SPACE; COMPLEX SCALING; ELECTRON PROPAGATORS; ELECTRON-ATOM SCATTERING; ENERGY GRADIENTS; LENGTH CONTROL; M-MATRICES; MULTICONFIGURATIONAL SELF-CONSISTENT FIELDS; REFERENCE STATE; SCATTERING RESONANCE; SECOND QUANTIZATION; SHAPE RESONANCE; SPIN TENSORS; SPIN-ORBITALS; STATIONARY POINTS;

ALGORITHMS; CONVERGENCE OF NUMERICAL METHODS; CURRENT VOLTAGE CHARACTERISTICS; SPIN DYNAMICS; WIRELESS TELECOMMUNICATION SYSTEMS;

RESONANCE;

EID: 74549195138     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22047     Document Type: Article

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