Sfoglia per Autore KOCH, Henrik
The infrared spectrum of water. Basis set dependence at the single and double excitation coupled cluster (CCSD) level of theory
1988 Koch, Henrik; Scuseria, Gustavo E.; Scheiner, Andrew C.; Schaefer III, Henry F.
DIRECT ITERATIVE RPA CALCULATIONS - APPLICATIONS TO ETHYLENE, BENZENE AND CYTOSINE
1988 Jensen, Hja; Koch, H; Jorgensen, P; Olsen, J
Coupled cluster energy derivatives. Analytic Hessian for the closed-shell coupled cluster singles and doubles wave function: Theory and applications
1990 Koch, Henrik; Jensen, Hans Jørgen Aa; Jørgensen, Poul; Helgaker, Trygve; Scuseria, Gustavo E.; Schaefer III, Henry F.
Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O
1990 Koch, Henrik; Jensen, Hans Jørgen Aa.; Jørgensen, Poul; Helgaker, Trygve
Determination of the transition dipole moment μi→b(R) in H2 from the measurement of vibrational wave functions
1990 Schins, Juleon M.; Siebbeles, Laurens D. A.; Los, Joop; Kristensen, Martin; Koch, Henrik
Coupled cluster response functions
1990 Koch, Henrik; Jørgensen, Poul
Branching ratios for the dissociative decay of triplet H2
1991 Schins, J. M.; Siebbeles, L. D. A.; Los, J.; Van Der Zande, W. J.; Rychlewski, J.; Koch, H.
Analytical calculation of full configuration interaction response properties: Application to be
1991 Koch, Henrik; Harrison, Robert J.
A variational matrix decomposition applied to full configuration-interaction calculations
1992 Koch, Henrik; Dalgaard, Esper
Comparison of coupled-cluster and Brueckner coupled-cluster calculations of molecular properties
1993 Kobayashi, Rika; Koch, Henrik; Jørgensen, Poul; Lee, Timothy J.
FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES OF POLYYNES
1993 Jaszunski, M; Jorgensen, P; Koch, H; Agren, H; Helgaker, T
Large scale random phase calculations for direct self-consistent field wavefunctions
1993 Koch, Henrik; Ågren, Hans; Jørgensen, Poul; Helgaker, Trygve; Jensen, Hans Jørgen Aa.
Quartic coupled cluster force fields for the diazene isomers
1993 Kobayashi, Rika; Bludský, Ota; Koch, Henrik; Jørgensen, Poul
Linear superposition of optimized non-orthogonal Slater determinants for singlet states
1993 Koch, Henrik; Dalgaard, Esper
DIRECT ATOMIC ORBITAL BASED SELF-CONSISTENT-FIELD CALCULATIONS OF NONLINEAR MOLECULAR-PROPERTIES - APPLICATION TO THE FREQUENCY-DEPENDENT HYPERPOLARIZABILITY OF PARA-NITROANILINE
1993 Agren, H; Vahtras, O; Koch, H; Jorgensen, P; Helgaker, T
Calculation of size-intensive transition moments from the coupled cluster singles and doubles linear response function
1994 Koch, Henrik; Kobayashi, Rika; De Merás, Alfredo Sanchez; Jørgensen, Poul
A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) model
1994 Koch, Henrik; Christiansen, Ove; Kobayashi, Rika; Jørgensen, Poul; Helgaker, Trygve
Brueckner coupled cluster response functions
1994 Koch, Henrik; Kobayashi, Rika; Jørgensen, Poul
Static polarizabilities and dipole moment derivatives for the closed shell coupled cluster singles and doubles wave function
1994 Kobayashi, Rika; Koch, Henrik; Jørgensen, Poul
Calculation of frequency-dependent polarizabilities using coupled-cluster response theory
1994 Kobayashi, Rika; Koch, Henrik; Jrgensen, Poul
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file non ad Accesso aperto
- file sotto embargo
- nessun file disponibile