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Titolo Data di pubblicazione Autori Tipo File
The second-order approximate coupled cluster singles and doubles model CC2 1995 Christiansen, OveKoch, Henrik + 1.1 Articolo in rivista
Response functions in the CC3 iterative triple excitation model 1995 Koch, Henrik + 1.1 Articolo in rivista
Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models 1995 Koch, Henrik + 1.1 Articolo in rivista
Research note: Scf calculations of the nmr shielding tensor for the ethylenic carbon atom in C3Cl4 1995 Ruud, KennethKoch, Henrik + 1.1 Articolo in rivista
Random-phase calculations of frequency-dependent polarizabilities and hyperpolarizabilities of long polyene chains 1995 Koch, Henrik + 1.1 Articolo in rivista
Full Configuration - Interaction and state of the art correlation calculations on water in a valence double-zeta basis with polarization functions 1996 Koch, Henrik + 1.1 Articolo in rivista
Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes 1996 Ruud, K.Koch, H. + 1.1 Articolo in rivista
Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene 1996 Koch, Henrik + 1.1 Articolo in rivista
Dynamic CCSD polarisabilities of CHF3 and CHCl3 1996 Koch, Henrik + 1.1 Articolo in rivista
Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory 1996 Koch, Henrik + 1.1 Articolo in rivista
Surprising cases of divergent behavior in Møller-Plesset perturbation theory 1996 Koch, Henrik + 1.1 Articolo in rivista
The integral-direct coupled cluster singles and doubles model 1996 Koch, Henrik + 1.1 Articolo in rivista
The molecular structure of ferrocene 1996 Koch, Henrik + 1.1 Articolo in rivista
Perturbative triple excitation corrections to coupled cluster singles and doubles excitation energies 1996 Koch, Henrik + 1.1 Articolo in rivista
On the inherent divergence in the Møller-Plesset series. The neon atom - A test case 1996 Koch, Henrik + 1.1 Articolo in rivista
Integral direct calculation of CC2 excitation energies: singlet excited states of benzene 1996 Koch, Henrik + 1.1 Articolo in rivista
First-order one-electron properties in the integral-direct coupled cluster singles and doubles model 1997 Koch, Henrik + 1.1 Articolo in rivista
Frequency-dependent first hyperpolarizabilities using coupled cluster quadratic response theory 1997 Christiansen, OveKoch, Henrik + 1.1 Articolo in rivista
A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models 1997 Koch, HenrikChristiansen, Ove + 1.1 Articolo in rivista
Multiple basis sets in calculations of triples corrections in coupled-cluster theory 1997 Koch, Henrik + 1.1 Articolo in rivista
Mostrati risultati da 21 a 40 di 146
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