Ove Christiansen

1969 -

statsborgerskab: Danmark

talte sprog: dansk, engelsk

beskæftigelse: kemiker, universitetslærer

Ove Christiansen (born November 13, 1969, in Holstebro, Denmark) is professor of chemistry at the Department of Chemistry, Aarhus University (AU), Denmark. He is contributor to the DALTON program package and initiated the MidasCpp (Molecular Interactions Dynamics and Simulations in C++) program [1] for the accurate description of nuclear dynamics with means of Coupled Cluster Theory. Source: Wikipedia (en)

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Artikler 112

Date

Titel

Forfattere

2020-02-01

Systematic and variational truncation of the configuration space in the multiconfiguration time-dependent Hartree method: The MCTDH[n] hierarchy

Niels Kristian Madsen, Mads Bøttger Hansen, Graham A Worth, Ove Christiansen
2020-07-01

Extended vibrational coupled cluster: Stationary states and dynamics

Mads Bøttger Hansen, Niels Kristian Madsen, Ove Christiansen
2020-12-01

A general implementation of time-dependent vibrational coupled-cluster theory

Niels Kristian Madsen, Andreas Buchgraitz Jensen, Mads Bøttger Hansen, Ove Christiansen
2020-12-01

Vibrationally resolved coupled-cluster x-ray absorption spectra from vibrational configuration interaction anharmonic calculations

Torsha Moitra, Diana Madsen, Ove Christiansen, Sonia Coriani
2019-10-01

Time-dependent vibrational coupled cluster theory: Theory and implementation at the two-mode coupling level

Mads Bøttger Hansen, Niels Kristian Madsen, Alberto Zoccante, Ove Christiansen
2019-04-01

Approximate high mode coupling potentials using Gaussian process regression and adaptive density guided sampling

Gunnar Schmitz, Denis G Artiukhin, Ove Christiansen
2019-06-01

Machine learning for potential energy surfaces: An extensive database and assessment of methods

Gunnar Schmitz, Ian H Godtliebsen, Ove Christiansen
2018-06-01

Gaussian process regression to accelerate geometry optimizations relying on numerical differentiation

Gunnar Schmitz, Ove Christiansen
2018-01-01

Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations.

Niels Kristian Madsen, Ian H Godtliebsen, Ove Christiansen
2018-02-01

Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach

Ian H Godtliebsen, Ove Christiansen
2018-01-01

Anharmonic vibrational spectra from double incremental potential energy and dipole surfaces

Diana Madsen, Ove Christiansen
2018-10-01

Exponential parameterization of wave functions for quantum dynamics: Time-dependent Hartree in second quantization

Niels Kristian Madsen, Ove Christiansen
2017-04-01

Atomic-batched tensor decomposed two-electron repulsion integrals.

Gunnar Schmitz, Niels Kristian Madsen, Ove Christiansen
2017-04-01

Efficient algorithms for solving the non-linear vibrational coupled-cluster equations using full and decomposed tensors

Ian H Godtliebsen, Ove Christiansen
2017-07-07

Accuracy of Frequencies Obtained with the Aid of Explicitly Correlated Wave Function Based Methods.

Gunnar Schmitz, Ove Christiansen
2016-02-01

FALCON: A method for flexible adaptation of local coordinates of nuclei.

Ove Christiansen
2015-10-26

Hybrid Optimized and Localized Vibrational Coordinates

Ove Christiansen
2015-07-28

Polarizable Embedded RI-CC2 Method for Two-Photon Absorption Calculations

Dalibor Hršak, Ove Christiansen, Christof Hättig
2015-04-01

Automatic determination of important mode-mode correlations in many-mode vibrational wave functions

Ove Christiansen
2015-05-01

Experimental and computational study of solvent effects on one- and two-photon absorption spectra of chlorinated harmines

Dalibor Hršak, Jacob Kongsted, Ove Christiansen, Peter R Ogilby
2015-10-01

Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states.

Ove Christiansen
2015-01-01

Tensor decomposition techniques in the solution of vibrational coupled cluster response theory eigenvalue equations.

Ove Christiansen
2014-05

The Dalton quantum chemistry program system

Kestutis Aidas, Celestino Angeli, Ove Christiansen, Sonia Coriani, Janus J. Eriksen, Berta Fernández, Lara Ferrighi, Heike Fliegl, Christof Hättig, Trygve Ulf Helgaker, Hinne Hettema, Hans Jørgen Aagaard Jensen, Wim Klopper, Rika Kobayashi, Henrik Koch, Jacob Kongsted, Kurt V. Mikkelsen, Patrick Norman, Filip Pawłowski, Thomas Bondo Pedersen, Simen Reine, Kenneth Ruud, Vladimir V Rybkin, Trond Saue, Stephan P. A. Sauer, Arnfinn Hykkerud Steindal, Andrew M. Teale, Erik Tellgren, David P Tew, David J D Wilson, Jógvan Magnus Haugaard Olsen, Radovan Bast, Joanna Kauczor, Ulf Ekström, Stinne Høst, Branislav Jansík, Jeppe Olsen, Lea Thøgersen, Linus Boman, Alfredo M.J. Sánchez De Merás, Christian Neiß, Lucas Cesar Frediani Sant'ana, Zilvinas Rinkevicius, Kristian Sneskov, Renzo Cimiraglia, Poul Jørgensen
2014-12-01

Lanczos-driven coupled-cluster damped linear response theory for molecules in polarizable environments

Sonia Coriani, Jacob Kongsted, Ove Christiansen, Nanna Holmgaard List
2014-06-01

Identifying the Hamiltonian structure in linear response theory.

Sonia Coriani, Ove Christiansen, Jacob Kongsted, Nanna Holmgaard List
2014-01-22

Effect of chromophore encapsulation on linear and nonlinear optical properties: the case of "miniSOG", a protein-encased flavin.

Tobias Schwabe, Jacob Kongsted, Peter R Ogilby, Ove Christiansen
2013-05-29

Tensor decomposition and vibrational coupled cluster theory

Bo Thomsen, Ove Christiansen
2013-08-28

Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach

José Manuel Guevara-Vela, Evelio Francisco, Angel Martín Pendás, Ove Christiansen
2013-09-01

Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra

Sonia Coriani, Patrick Norman, Janusz Cukras, Ove Christiansen
2013-04-15

Computational screening of one- and two-photon spectrally tuned channelrhodopsin mutants

Tobias Schwabe, Jacob Kongsted, Jógvan Magnus Haugaard Olsen, Christof Hättig, Ove Christiansen, Kristian Sneskov
2013-03-01

Carbon X-ray absorption spectra of fluoroethenes and acetone: a study at the coupled cluster, density functional, and static-exchange levels of theory

Sonia Coriani, Patrick Norman, Thomas Fransson, Ove Christiansen
2013-04-30

Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex.

Daniele Toffoli, Ove Christiansen

Human - wd:Q50284155

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