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Results: 1-16 |
Results: 16
On the "killer condition'' in the equation-of-motion method: ionization potentials from multi-reference wave functions
Authors: Szekeres, Z Szabados, A Kallay, M Surjan, PR
Citation: Z. Szekeres et al., On the "killer condition'' in the equation-of-motion method: ionization potentials from multi-reference wave functions, PHYS CHEM P, 3(5), 2001, pp. 696-701
Near-degeneracy corrections for second-order perturbation theory: comparison of two approaches
Authors: Szabados, A Assfeld, X Surjan, PR
Citation: A. Szabados et al., Near-degeneracy corrections for second-order perturbation theory: comparison of two approaches, THEOR CH AC, 105(6), 2001, pp. 408-412
On the convergence of the coupled-cluster sequence: the H-8 model
Authors: Surjan, PR Kallay, M
Citation: Pr. Surjan et M. Kallay, On the convergence of the coupled-cluster sequence: the H-8 model, J MOL ST-TH, 547, 2001, pp. 145-151
Higher excitations in coupled-cluster theory
Authors: Kallay, M Surjan, PR
Citation: M. Kallay et Pr. Surjan, Higher excitations in coupled-cluster theory, J CHEM PHYS, 115(7), 2001, pp. 2945-2954
An effective hopping model for weakly interacting pi systems: Electronic structure of stacked polyaromatic hydrocarbons
Authors: Lazar, A Surjan, PR Paulsson, M Stafstrom, S
Citation: A. Lazar et al., An effective hopping model for weakly interacting pi systems: Electronic structure of stacked polyaromatic hydrocarbons, INT J QUANT, 84(2), 2001, pp. 216-225
Circular dichroism of host-guest complexes of achiral pyridino- and phenazino-18-crown-6 ligands with the enantiomers of chiral aralkyl ammonium salts
Authors: Somogyi, L Samu, E Huszthy, P Lazar, A Angyan, JG Surjan, PR Hollosi, M
Citation: L. Somogyi et al., Circular dichroism of host-guest complexes of achiral pyridino- and phenazino-18-crown-6 ligands with the enantiomers of chiral aralkyl ammonium salts, CHIRALITY, 13(2), 2000, pp. 109-117
The nature of electronic excitations in singly bonded C-60 dimer
Authors: Lazar, A Surjan, PR
Citation: A. Lazar et Pr. Surjan, The nature of electronic excitations in singly bonded C-60 dimer, J MOL ST-TH, 501, 2000, pp. 369-377
Computing coupled-cluster wave functions with arbitrary excitations
Authors: Kallay, M Surjan, PR
Citation: M. Kallay et Pr. Surjan, Computing coupled-cluster wave functions with arbitrary excitations, J CHEM PHYS, 113(4), 2000, pp. 1359-1365
Optimized partitioning in perturbation theory: Comparison to related approaches
Authors: Surjan, PR Szabados, A
Citation: Pr. Surjan et A. Szabados, Optimized partitioning in perturbation theory: Comparison to related approaches, J CHEM PHYS, 112(10), 2000, pp. 4438-4446
Interaction of chemical bonds. V. Perturbative corrections to geminal-typewave functions
Authors: Rosta, E Surjan, PR
Citation: E. Rosta et Pr. Surjan, Interaction of chemical bonds. V. Perturbative corrections to geminal-typewave functions, INT J QUANT, 80(2), 2000, pp. 96-104
Orthogonality constrained excited states
Authors: Surjan, PR
Citation: Pr. Surjan, Orthogonality constrained excited states, CHEM P LETT, 325(1-3), 2000, pp. 120-126
An introduction to the theory of geminals
Authors: Surjan, PR
Citation: Pr. Surjan, An introduction to the theory of geminals, T CURR CHEM, 203, 1999, pp. 63-88
Improving CISD calculations by geminal-type reference states
Authors: Kallay, M Surjan, PR
Citation: M. Kallay et Pr. Surjan, Improving CISD calculations by geminal-type reference states, CHEM P LETT, 312(2-4), 1999, pp. 221-228
Optimized partitioning in Rayleigh-Schrodinger perturbation theory
Authors: Szabados, A Surjan, PR
Citation: A. Szabados et Pr. Surjan, Optimized partitioning in Rayleigh-Schrodinger perturbation theory, CHEM P LETT, 308(3-4), 1999, pp. 303-309
Covalent bond orders and atomic valences from correlated wavefunctions
Authors: Angyan, JG Rosta, E Surjan, PR
Citation: Jg. Angyan et al., Covalent bond orders and atomic valences from correlated wavefunctions, CHEM P LETT, 299(1), 1999, pp. 1-8
Hybridization effects in localized wave functions
Authors: Surjan, PR Lazar, A
Citation: Pr. Surjan et A. Lazar, Hybridization effects in localized wave functions, THEOCHEM, 455(2-3), 1998, pp. 175-182
Risultati: 1-16 |