Performance of SOPPA-based methods in the calculation of vertical excitation energies and oscillator strengths

Molecular Physics

Volumn 113, Issue 13-14, 2015, Pages 2026-2045

  Sauer, Stephan P A ^a   Pitzner Frydendahl, Henrik F ^a   Buse, Mogens ^b   Jensen, Hans Jørgen Aa ^b   Thiel, Walter ^c  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

^c MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

ADC(2); benchmarks; electronically excited states; oscillator strengths; RPA(D); second order polarization propagator methods; SOPPA; SOPPA(CCSD); SOPPA(SCS MP2); SOPPA(SOS MP2)

Indexed keywords

ANALOG TO DIGITAL CONVERSION; EXCITATION ENERGY; EXCITED STATES; POLARIZATION;

ADC(2); ELECTRONICALLY EXCITED STATE; OSCILLATOR STRENGTHS; PROPAGATOR METHOD; RPA(D); SOPPA; SOPPA(CCSD); SOPPA(SCS-MP2); SOPPA(SOS-MP2);

BENCHMARKING;

EID: 84937695903     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2015.1048320     Document Type: Article

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