Sfoglia per Autore  KOCH, Henrik

Opzioni
Mostrati risultati da 1 a 20 di 146
Titolo Data di pubblicazione Autori Tipo File
DIRECT ITERATIVE RPA CALCULATIONS - APPLICATIONS TO ETHYLENE, BENZENE AND CYTOSINE 1988 KOCH, H + 1.1 Articolo in rivista
The infrared spectrum of water. Basis set dependence at the single and double excitation coupled cluster (CCSD) level of theory 1988 Koch, Henrik + 1.1 Articolo in rivista
Determination of the transition dipole moment μi→b(R) in H2 from the measurement of vibrational wave functions 1990 Koch, Henrik + 1.1 Articolo in rivista
Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O 1990 Koch, Henrik + 1.1 Articolo in rivista
Coupled cluster response functions 1990 Koch, Henrik + 1.1 Articolo in rivista
Coupled cluster energy derivatives. Analytic Hessian for the closed-shell coupled cluster singles and doubles wave function: Theory and applications 1990 Koch, Henrik + 1.1 Articolo in rivista
Analytical calculation of full configuration interaction response properties: Application to be 1991 Koch, Henrik + 1.1 Articolo in rivista
Branching ratios for the dissociative decay of triplet H2 1991 Koch, H. + 1.1 Articolo in rivista
A variational matrix decomposition applied to full configuration-interaction calculations 1992 Koch, Henrik + 1.1 Articolo in rivista
Quartic coupled cluster force fields for the diazene isomers 1993 Koch, Henrik + 1.1 Articolo in rivista
Large scale random phase calculations for direct self-consistent field wavefunctions 1993 Koch, Henrik + 1.1 Articolo in rivista
FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES OF POLYYNES 1993 KOCH, H + 1.1 Articolo in rivista
Linear superposition of optimized non-orthogonal Slater determinants for singlet states 1993 Koch, Henrik + 1.1 Articolo in rivista
DIRECT ATOMIC ORBITAL BASED SELF-CONSISTENT-FIELD CALCULATIONS OF NONLINEAR MOLECULAR-PROPERTIES - APPLICATION TO THE FREQUENCY-DEPENDENT HYPERPOLARIZABILITY OF PARA-NITROANILINE 1993 KOCH, H + 1.1 Articolo in rivista
Comparison of coupled-cluster and Brueckner coupled-cluster calculations of molecular properties 1993 Koch, Henrik + 1.1 Articolo in rivista
Calculation of frequency-dependent polarizabilities using coupled-cluster response theory 1994 Koch, Henrik + 1.1 Articolo in rivista
Brueckner coupled cluster response functions 1994 Koch, Henrik + 1.1 Articolo in rivista
Static polarizabilities and dipole moment derivatives for the closed shell coupled cluster singles and doubles wave function 1994 Koch, Henrik + 1.1 Articolo in rivista
A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) model 1994 Koch, Henrik + 1.1 Articolo in rivista
Calculation of size-intensive transition moments from the coupled cluster singles and doubles linear response function 1994 Koch, Henrik + 1.1 Articolo in rivista
Mostrati risultati da 1 a 20 di 146
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