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The Journal of Chemical Physics
|
October 10, 2015
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
Ian H Godtliebsen, Ove Christiansen
Physical Chemistry Chemical Physics : PCCP
|
April 24, 2013
A band Lanczos approach for calculation of vibrational coupled cluster response functions: simultaneous calculation of IR and Raman anharmonic spectra for the complex of pyridine and a silver cation
Ian H Godtliebsen, Ove Christiansen
The Journal of Physical Chemistry. A
|
May 14, 2013
Tensor decomposition and vibrational coupled cluster theory
Ian H Godtliebsen, Bo Thomsen, Ove Christiansen
The Journal of Chemical Physics
|
January 17, 2015
Tensor decomposition techniques in the solution of vibrational coupled cluster response theory eigenvalue equations
Ian H Godtliebsen, Mads Bøttger Hansen, Ove Christiansen
The Journal of Chemical Physics
|
April 10, 2017
Efficient algorithms for solving the non-linear vibrational coupled-cluster equations using full and decomposed tensors
Niels K Madsen, Ian H Godtliebsen, Ove Christiansen
The Journal of Chemical Physics
|
February 22, 2016
FALCON: A method for flexible adaptation of local coordinates of nuclei
Carolin König, Mads Bøttger Hansen, Ian H Godtliebsen, et al.
The Journal of Chemical Physics
|
July 10, 2023
Gaussian process regression adaptive density-guided approach: Toward calculations of potential energy surfaces for larger molecules
Denis G Artiukhin, Ian H Godtliebsen, Gunnar Schmitz, et al.
The Journal of Chemical Physics
|
January 15, 2018
Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations
Niels Kristian Madsen, Ian H Godtliebsen, Sergio A Losilla, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
October 10, 2015
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
Ian H Godtliebsen, Ove Christiansen
Physical Chemistry Chemical Physics : PCCP
|
April 24, 2013
A band Lanczos approach for calculation of vibrational coupled cluster response functions: simultaneous calculation of IR and Raman anharmonic spectra for the complex of pyridine and a silver cation
Ian H Godtliebsen, Ove Christiansen
The Journal of Physical Chemistry. A
|
May 14, 2013
Tensor decomposition and vibrational coupled cluster theory
Ian H Godtliebsen, Bo Thomsen, Ove Christiansen
The Journal of Chemical Physics
|
January 17, 2015
Tensor decomposition techniques in the solution of vibrational coupled cluster response theory eigenvalue equations
Ian H Godtliebsen, Mads Bøttger Hansen, Ove Christiansen
The Journal of Chemical Physics
|
April 10, 2017
Efficient algorithms for solving the non-linear vibrational coupled-cluster equations using full and decomposed tensors
Niels K Madsen, Ian H Godtliebsen, Ove Christiansen
The Journal of Chemical Physics
|
February 22, 2016
FALCON: A method for flexible adaptation of local coordinates of nuclei
Carolin König, Mads Bøttger Hansen, Ian H Godtliebsen, et al.
The Journal of Chemical Physics
|
July 10, 2023
Gaussian process regression adaptive density-guided approach: Toward calculations of potential energy surfaces for larger molecules
Denis G Artiukhin, Ian H Godtliebsen, Gunnar Schmitz, et al.
The Journal of Chemical Physics
|
January 15, 2018
Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations
Niels Kristian Madsen, Ian H Godtliebsen, Sergio A Losilla, et al.
Page
of 1