TD-CI simulation of the electronic optical response of molecules in intense fields: Comparison of RPA, CIS, CIS(D), and EOM-CCSD

Journal of Physical Chemistry A

Volumn 115, Issue 18, 2011, Pages 4678-4690

  Sonk, Jason A ^a   Caricato, Marco ^b   Schlegel, H Bernhard ^a  

^a WAYNE STATE UNIVERSITY   (United States)

^b GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CONFIGURATION INTERACTIONS; DIFFUSE FUNCTIONS; DOUBLE EXCITATIONS; EQUATION OF MOTION COUPLED CLUSTERS; GAUSSIAN PULSE; INTENSE FIELD; INTENSE LASER PULSE; IONIZATION THRESHOLDS; LINEAR RESPONSE; OPTICAL RESPONSE; RANDOM PHASE APPROXIMATIONS; SINGLE EXCITATION; TIME-DEPENDENT HARTREE-FOCK; TRANSITION DIPOLE;

BUTADIENE; HARTREE APPROXIMATION; LASER THEORY;

EXCITED STATES;

CYANIDE; LITHIUM;

ARTICLE; CHEMISTRY; COMPARATIVE STUDY; ELECTRON; MOLECULAR DYNAMICS; QUANTUM THEORY; TIME;

CYANIDES; ELECTRONS; LITHIUM; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; TIME FACTORS;

EID: 79955855938     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp107384p     Document Type: Article

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