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Henrik Koch
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Basis-set convergence of correlated calculations on water
T Helgaker, W Klopper, H Koch, J Noga
The Journal of chemical physics 106 (23), 9639-9646, 1997
26331997
Basis-set convergence in correlated calculations on Ne, N2, and H2O
A Halkier, T Helgaker, P Jørgensen, W Klopper, H Koch, J Olsen, ...
Chemical Physics Letters 286 (3-4), 243-252, 1998
22871998
The second-order approximate coupled cluster singles and doubles model CC2
O Christiansen, H Koch, P Jørgensen
Chemical Physics Letters 243 (5-6), 409-418, 1995
18861995
The D alton quantum chemistry program system
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014
13602014
Coupled cluster response functions
H Koch, P Jo/rgensen
The Journal of chemical physics 93 (5), 3333-3344, 1990
11751990
Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O
H Koch, HJA Jensen, P Jo/rgensen, T Helgaker
The Journal of chemical physics 93 (5), 3345-3350, 1990
6281990
Response functions in the CC3 iterative triple excitation model
O Christiansen, H Koch, P Jo/rgensen
The Journal of chemical physics 103 (17), 7429-7441, 1995
5831995
The CC3 model: An iterative coupled cluster approach including connected triples
H Koch, O Christiansen, P Jo/rgensen, AM Sanchez de Merás, T Helgaker
The Journal of chemical physics 106 (5), 1808-1818, 1997
4801997
Reduced scaling in electronic structure calculations using Cholesky decompositions
H Koch, A Sánchez de Merás, TB Pedersen
The Journal of chemical physics 118 (21), 9481-9484, 2003
4652003
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Release 1, 63, 2001
3522001
Full configuration–interaction and state of the art correlation calculations on water in a valence double‐zeta basis with polarization functions
J Olsen, P Jo/rgensen, H Koch, A Balkova, RJ Bartlett
The Journal of chemical physics 104 (20), 8007-8015, 1996
3011996
Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models
H Koch, O Christiansen, P Jørgensen, J Olsen
Chemical physics letters 244 (1-2), 75-82, 1995
2901995
Coupled cluster energy derivatives. Analytic Hessian for the closed‐shell coupled cluster singles and doubles wave function: Theory and applications
H Koch, HJA Jensen, P Jo/rgensen, T Helgaker, GE Scuseria, ...
The Journal of chemical physics 92 (8), 4924-4940, 1990
2711990
Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory
O Christiansen, H Koch, P Jørgensen, J Olsen
Chemical physics letters 256 (1-2), 185-194, 1996
2641996
Surprising cases of divergent behavior in Mo/ller–Plesset perturbation theory
J Olsen, O Christiansen, H Koch, P Jo/rgensen
The Journal of chemical physics 105 (12), 5082-5090, 1996
2561996
Perturbative triple excitation corrections to coupled cluster singles and doubles excitation energies
O Christiansen, H Koch, P Jo/rgensen
The Journal of chemical physics 105 (4), 1451-1459, 1996
2561996
Calculation of size‐intensive transition moments from the coupled cluster singles and doubles linear response function
H Koch, R Kobayashi, A Sanchez de Merás, P Jo/rgensen
The Journal of chemical physics 100 (6), 4393-4400, 1994
2531994
Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties
O Christiansen, A Halkier, H Koch, P Jo/rgensen, T Helgaker
The Journal of chemical physics 108 (7), 2801-2816, 1998
2321998
A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models
A Halkier, H Koch, P Jørgensen, O Christiansen, IMB Nielsen, T Helgaker
Theoretical Chemistry Accounts 97, 150-157, 1997
2281997
Large‐scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene
O Christiansen, H Koch, A Halkier, P Jo/rgensen, T Helgaker, ...
The Journal of chemical physics 105 (16), 6921-6939, 1996
2131996
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