Articles with public access mandates - Ove ChristiansenLearn more
Not available anywhere: 16
Excited state coupled cluster methods
K Sneskov, O Christiansen
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 566-584, 2012
Mandates: Danish National Research Foundation
Hydrogen‐Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach
JM Guevara‐Vela, R Chávez‐Calvillo, M García‐Revilla, ...
Chemistry–A European Journal 19 (42), 14304-14315, 2013
Mandates: Danish National Research Foundation, Government of Spain
PERI–CC2: A Polarizable Embedded RI-CC2 Method
T Schwabe, K Sneskov, JM Haugaard Olsen, J Kongsted, O Christiansen, ...
Journal of Chemical Theory and Computation 8 (9), 3274-3283, 2012
Mandates: Danish Council for Technology and Innovation, Danish National Research …
Optimized coordinates in vibrational coupled cluster calculations
B Thomsen, K Yagi, O Christiansen
The Journal of Chemical Physics 140 (15), 2014
Mandates: Danish Council for Independent Research, Danish National Research Foundation
A simple state-average procedure determining optimal coordinates for anharmonic vibrational calculations
B Thomsen, K Yagi, O Christiansen
Chemical Physics Letters 610, 288-297, 2014
Mandates: Danish Council for Independent Research, Danish National Research Foundation
Lanczos-driven coupled–cluster damped linear response theory for molecules in polarizable environments
NH List, S Coriani, J Kongsted, O Christiansen
The Journal of Chemical Physics 141 (24), 2014
Mandates: Danish Council for Independent Research
Tensor decomposition techniques in the solution of vibrational coupled cluster response theory eigenvalue equations
IH Godtliebsen, MB Hansen, O Christiansen
The Journal of chemical physics 142 (2), 2015
Mandates: Danish Council for Independent Research, Danish National Research Foundation
Polarizable embedded RI-CC2 method for two-photon absorption calculations
D Hrsak, A Marefat Khah, O Christiansen, C Hättig
Journal of chemical theory and computation 11 (8), 3669-3678, 2015
Mandates: German Research Foundation, Danish Council for Independent Research
Accurate nonlinear optical properties for small molecules: Methods and results
O Christiansen, S Coriani, J Gauss, C Hättig, P JØrgensen, F Pawłowski, ...
Non-Linear Optical Properties of Matter: From Molecules to Condensed Phases …, 2006
Mandates: German Research Foundation
Identifying the Hamiltonian structure in linear response theory
NH List, S Coriani, O Christiansen, J Kongsted
The Journal of Chemical Physics 140 (22), 2014
Mandates: Danish Council for Technology and Innovation
Current and future machine learning approaches for modeling atmospheric cluster formation
J Kubečka, Y Knattrup, M Engsvang, AB Jensen, D Ayoubi, H Wu, ...
Nature Computational Science 3 (6), 495-503, 2023
Mandates: Danish Council for Independent Research
Bivariational time-dependent wave functions with biorthogonal adaptive basis sets: General formulation and regularization of equations of motion through polar decomposition
MG Højlund, AB Jensen, A Zoccante, O Christiansen
The Journal of Chemical Physics 157 (23), 2022
Mandates: Danish Council for Independent Research
Accuracy of frequencies obtained with the aid of explicitly correlated wave function based methods
G Schmitz, O Christiansen
Journal of Chemical Theory and Computation 13 (8), 3602-3613, 2017
Mandates: Danish Council for Independent Research, Villum Foundation
Vibrationally correlated calculations in polyspherical coordinates: Taylor expansion-based kinetic energy operators
F Bader, D Lauvergnat, O Christiansen
The Journal of Chemical Physics 159 (21), 2023
Mandates: Danish Council for Independent Research, Danish National Research Foundation
Efficient vibrationally correlated calculations using n-mode expansion-based kinetic energy operators
F Bader, D Lauvergnat, O Christiansen
Physical Chemistry Chemical Physics 26 (15), 11469-11481, 2024
Mandates: Danish Council for Independent Research, Danish National Research Foundation
Assessment of the overlap metric in the context of RI-MP2 and atomic batched tensor decomposed MP2
G Schmitz, O Christiansen
Chemical Physics Letters 701, 7-14, 2018
Mandates: Danish Council for Independent Research, Villum Foundation
Available somewhere: 50
Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules
S Coriani, O Christiansen, T Fransson, P Norman
Physical Review A—Atomic, Molecular, and Optical Physics 85 (2), 022507, 2012
Mandates: Swedish Research Council
Asymmetric-Lanczos-chain-driven implementation of electronic resonance convergent coupled-cluster linear response theory
S Coriani, T Fransson, O Christiansen, P Norman
Journal of chemical theory and computation 8 (5), 1616-1628, 2012
Mandates: Swedish Research Council
Failures of TDDFT in describing the lowest intramolecular charge-transfer excitation in para-nitroaniline
JJ Eriksen, SPA Sauer, KV Mikkelsen, O Christiansen, HJA Jensen, ...
Molecular Physics 111 (9-11), 1235-1248, 2013
Mandates: Danish Council for Technology and Innovation
Carbon X-ray absorption spectra of fluoroethenes and acetone: A study at the coupled cluster, density functional, and static-exchange levels of theory
T Fransson, S Coriani, O Christiansen, P Norman
The Journal of Chemical Physics 138 (12), 2013
Mandates: Swedish Research Council
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