KOCH, Henrik
KOCH, Henrik
Classe di Scienze
A coupled cluster calculation of the spectrum of urea
2001-01-01 de Meras, Amjs; Cuesta, Ig; Koch, H
A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) model
1994-01-01 Koch, Henrik; Christiansen, Ove; Kobayashi, Rika; Jørgensen, Poul; Helgaker, Trygve
A ReaxFF force field for sodium intrusion in graphitic cathodes
2016-01-01 Hjertenæs, Eirik; Nguyen, Anh Quynh; Koch, Henrik
A second-order doubles correction to excitation energies in the random-phase approximation
1998-01-01 Christiansen, Ove; Bak, Keld L.; Koch, Henrik; Sauer, Stephan P. A.
A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models
1997-01-01 Halkier, Asger; Koch, Henrik; Jørgensen, Poul; Christiansen, Ove; Nielsen, Ida M. Beck; Helgaker, Trygve
A theoretical and experimental benchmark study of core-excited states in nitrogen
2018-01-01 Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan; Nandi, Saikat; Coriani, Sonia; Gühr, Markus; Koch, Henrik
A variational matrix decomposition applied to full configuration-interaction calculations
1992-01-01 Koch, Henrik; Dalgaard, Esper
Ab initio calculation of optical rotation in (P)-(+)-[4]triangulane
2005-01-01 Crawford, T. Daniel; Owens, Lesley S.; Tam, Mary C.; Schreiner, Peter R.; Koch, Henrik
Ab initio calculation of the frequency-dependent interaction induced hyperpolarizability of Ar-2
1999-01-01 Fernandez, B; Hattig, C; Koch, H; Rizzo, A
Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex
2006-01-01 Van Der Avoird, Ad; Bondo Pedersen, Thomas; Dhont, Guillaume S. F.; Fernández, Berta; Koch, Henrik
Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations
2020-01-01 Kjonstad, E. F.; Folkestad, S. D.; Koch, H.
Accurate ab initio density fitting for multiconfigurational self-consistent field methods
2008-01-01 Aquilante, Francesco; Pedersen, Thomas Bondo; Lindh, Roland; Roos, Björn Olof; Sánchez De Merás, Alfredo; Koch, Henrik
Accurate ab initio rovibronic spectrum of the X 1 Sigma(+)(g) and B 1 Sigma(+)(u) in Ar-2
1998-01-01 Fernandez, B; Koch, H
Accurate Description of Photoionization Dynamical Parameters
2020-01-01 Moitra, T.; Ponzi, A.; Koch, H.; Coriani, S.; Decleva, P.
Accurate intermolecular ground state potential of the Ar-N-2 complex
1999-01-01 Fernandez, B; Koch, H; Makarewicz, J
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets
2019-01-01 Carbone, J. P.; Cheng, L.; Myhre, R. H.; Matthews, D.; Koch, H.; Coriani, S.
An efficient algorithm for Cholesky decomposition of electron repulsion integrals
2019-01-01 Folkestad, S. D.; Kjonstad, E. F.; Koch, H.
An Orbital Invariant Similarity Constrained Coupled Cluster Model
2019-01-01 Kjonstad, E. F.; Koch, H.
Analytical calculation of full configuration interaction response properties: Application to be
1991-01-01 Koch, Henrik; Harrison, Robert J.
Argon broadening of the13CO R(0) and R(7) transitions in the fundamental band at temperatures between 80 and 297 K: Comparison between experiment and theory
2003-01-01 Mantz, A. W.; Thibault, F.; Cacheiro, J. L.; Fernandez, B.; Pedersen, T. B.; Koch, H.; Valentin, A.; Claveau, C.; Henry, A.; Hurtmans, D.