Sfoglia per Autore
The second-order approximate coupled cluster singles and doubles model CC2
1995 Christiansen, Ove; Koch, Henrik; Jørgensen, Poul
Response functions in the CC3 iterative triple excitation model
1995 Christiansen, Ove; Koch, Henrik; Jørgensen, Poul
Random-phase calculations of frequency-dependent polarizabilities and hyperpolarizabilities of long polyene chains
1995 Luo, Yi; Gren, Hans; Koch, Henrik; Jorgensen, Poul; Helgaker, Trygve
Research note: Scf calculations of the nmr shielding tensor for the ethylenic carbon atom in C3Cl4
1995 Jaszuński, Michał; Helgaker, Trygve; Ruud, Kenneth; Jørgensen, Poul; Bak, Keld L.; Koch, Henrik
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; Christiansen, Ove; Jørgensen, Poul; Olsen, Jeppe
Dynamic CCSD polarisabilities of CHF3 and CHCl3
1996 Kobayashi, Rika; Amos, Roger D.; Koch, Henrik; Jørgensen, Poul
Perturbative triple excitation corrections to coupled cluster singles and doubles excitation energies
1996 Christiansen, Ove; Koch, Henrik; Jørgensen, Poul
Integral direct calculation of CC2 excitation energies: singlet excited states of benzene
1996 Christiansen, Ove; Koch, Henrik; Jørgensen, Poul; Helgaker, Trygve
Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene
1996 Christiansen, Ove; Koch, Henrik; Halkier, Asger; Jørgensen, Poul; Helgaker, Trygve; De Merás, Alfredo Sánchez
Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes
1996 Norman, P.; Jonsson, D.; Ågren, H.; Dahle, P.; Ruud, K.; Helgaker, T.; Koch, H.
The integral-direct coupled cluster singles and doubles model
1996 Koch, Henrik; De Merás, Alfredo Sánchez; Helgaker, Trygve; Christiansen, Ove
The molecular structure of ferrocene
1996 Koch, Henrik; Jørgensen, Poul; Helgaker, Trygve
On the inherent divergence in the Møller-Plesset series. The neon atom - A test case
1996 Christiansen, Ove; Olsen, Jeppe; Jørgensen, Poul; Koch, Henrik; Malmqvist, Per-Åke
Surprising cases of divergent behavior in Møller-Plesset perturbation theory
1996 Olsen, Jeppe; Christiansen, Ove; Koch, Henrik; Jørgensen, Poul
Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory
1996 Christiansen, Ove; Koch, Henrik; Jørgensen, Poul; Olsen, Jeppe
Full Configuration - Interaction and state of the art correlation calculations on water in a valence double-zeta basis with polarization functions
1996 Olsen, Jeppe; Jørgensen, Poul; Koch, Henrik; Balkova, Anna; Bartlett, Rodney J.
Coupled cluster response functions revisited
1997 Pedersen, Thomas Bondo; Koch, Henrik
Multiple basis sets in calculations of triples corrections in coupled-cluster theory
1997 Klopper, Wim; Noga, Jozef; Koch, Henrik; Helgaker, Trygve
Basis-set convergence of correlated calculations on water
1997 Helgaker, Trygve; Klopper, Wim; Koch, Henrik; Noga, Jozef
Frequency-dependent first hyperpolarizabilities using coupled cluster quadratic response theory
1997 Hättig, Christof; Christiansen, Ove; Koch, Henrik; Jørgensen, Poul
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