AAAAAA

   
Results: 1-7 |
Results: 7
COMPLETE BASIS-SET LIMIT IONIZATION-POTENTIALS OF O-3 AND NO2 USING THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD (MCSTEP)
Authors: MCKELLAR AJ HERYADI D YEAGER DL NICHOLS JA
Citation: Aj. Mckellar et al., COMPLETE BASIS-SET LIMIT IONIZATION-POTENTIALS OF O-3 AND NO2 USING THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD (MCSTEP), Chemical physics, 238(1), 1998, pp. 1-9
BALANCED COMPLETE ACTIVE SPACE CHOICES WITH THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD - THE VERTICAL IONIZATION-POTENTIALS OF NH2
Authors: MCKELLAR AJ HERYADI D YEAGER DL
Citation: Aj. Mckellar et al., BALANCED COMPLETE ACTIVE SPACE CHOICES WITH THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD - THE VERTICAL IONIZATION-POTENTIALS OF NH2, International journal of quantum chemistry, 70(4-5), 1998, pp. 729-736
A SMALL OPTIMAL COMPLETE ACTIVE SPACE (CAS) FOR MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD (MCSTEP) IONIZATION-POTENTIALS - APPLICATION TO METHANE, ACETYLENE, ETHYLENE, AND ETHANE
Authors: HERYADI D JONES CT YEAGER DL
Citation: D. Heryadi et al., A SMALL OPTIMAL COMPLETE ACTIVE SPACE (CAS) FOR MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD (MCSTEP) IONIZATION-POTENTIALS - APPLICATION TO METHANE, ACETYLENE, ETHYLENE, AND ETHANE, The Journal of chemical physics, 107(13), 1997, pp. 5088-5093
COMPARISON OF PERTURBATIVE AND MULTICONFIGURATIONAL ELECTRON PROPAGATOR METHODS
Authors: ZAKRZEWSKI VG ORTIZ JV NICHOLS JA HERYADI D YEAGER DL GOLAB JT
Citation: Vg. Zakrzewski et al., COMPARISON OF PERTURBATIVE AND MULTICONFIGURATIONAL ELECTRON PROPAGATOR METHODS, International journal of quantum chemistry, 60(1), 1996, pp. 29-36
THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD (MCSTEP) - COMPARISON WITH EXTENDED KOOPMANS THEOREM RESULTS
Authors: HERYADI D YEAGER DL GOLAB JT NICHOLS JA
Citation: D. Heryadi et al., THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD (MCSTEP) - COMPARISON WITH EXTENDED KOOPMANS THEOREM RESULTS, Theoretica Chimica Acta, 90(5-6), 1995, pp. 273-290
MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR VERTICAL IONIZATION-POTENTIALS FOR O-2 - COMPARISON TO SOME OTHER FOREFRONT METHODS USING THE SAME BASIS-SETS AND GEOMETRIES
Authors: HERYADI D YEAGER DL GOLAB JT NICHOLS JA
Citation: D. Heryadi et al., MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR VERTICAL IONIZATION-POTENTIALS FOR O-2 - COMPARISON TO SOME OTHER FOREFRONT METHODS USING THE SAME BASIS-SETS AND GEOMETRIES, The Journal of chemical physics, 102(23), 1995, pp. 9444-9445
IONIZATION-POTENTIALS OF CH2 - A COMPARISON OF THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD WITH BENCHMARK FULL CONFIGURATION-INTERACTION AND LARGE-SCALE MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATIONS
Authors: NICHOLS JA HERYADI D YEAGER DL GOLAB JT
Citation: Ja. Nichols et al., IONIZATION-POTENTIALS OF CH2 - A COMPARISON OF THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD WITH BENCHMARK FULL CONFIGURATION-INTERACTION AND LARGE-SCALE MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATIONS, The Journal of chemical physics, 100(4), 1994, pp. 2947-2952
Risultati: 1-7 |