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The Journal of Chemical Physics
|
April 15, 2019
Symplectic integration and physical interpretation of time-dependent coupled-cluster theory
Thomas Bondo Pedersen, Simen Kvaal
The Journal of Chemical Physics
|
May 26, 2007
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
Francesco Aquilante, Thomas Bondo Pedersen, Roland Lindh
The Journal of Chemical Physics
|
July 24, 2008
Analytic derivatives for the Cholesky representation of the two-electron integrals
Francesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
The Journal of Chemical Physics
|
September 25, 2007
Unbiased auxiliary basis sets for accurate two-electron integral approximations
Francesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
Chirality
|
September 11, 2009
Gas phase optical rotation calculated from coupled cluster theory with zero-point vibrational corrections from density funcional theory
Thomas Bondo Pedersen, Jacob Kongsted, T Daniel Crawford
The Journal of Chemical Physics
|
January 8, 2025
Multidimensional quantum dynamics with explicitly correlated Gaussian wave packets using Rothe's method
Simon Elias Schrader, Thomas Bondo Pedersen, Simen Kvaal
Journal of Chemical Theory and Computation
|
September 6, 2017
On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability
Lukas N Wirz, Simen S Reine, Thomas Bondo Pedersen
Journal of Chemical Theory and Computation
|
November 22, 2015
Analytical Gradients of Hartree-Fock Exchange with Density Fitting Approximations
Jonas Boström, Francesco Aquilante, Thomas Bondo Pedersen, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions
Jonas Boström, Francesco Aquilante, Thomas Bondo Pedersen, et al.
The Journal of Physical Chemistry. A
|
December 18, 2025
Tribute to Trygve Helgaker
Thomas Bondo Pedersen, Erik Tellgren, Michele Cascella, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 50) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
April 15, 2019
Symplectic integration and physical interpretation of time-dependent coupled-cluster theory
Thomas Bondo Pedersen, Simen Kvaal
The Journal of Chemical Physics
|
May 26, 2007
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
Francesco Aquilante, Thomas Bondo Pedersen, Roland Lindh
The Journal of Chemical Physics
|
July 24, 2008
Analytic derivatives for the Cholesky representation of the two-electron integrals
Francesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
The Journal of Chemical Physics
|
September 25, 2007
Unbiased auxiliary basis sets for accurate two-electron integral approximations
Francesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
Chirality
|
September 11, 2009
Gas phase optical rotation calculated from coupled cluster theory with zero-point vibrational corrections from density funcional theory
Thomas Bondo Pedersen, Jacob Kongsted, T Daniel Crawford
The Journal of Chemical Physics
|
January 8, 2025
Multidimensional quantum dynamics with explicitly correlated Gaussian wave packets using Rothe's method
Simon Elias Schrader, Thomas Bondo Pedersen, Simen Kvaal
Journal of Chemical Theory and Computation
|
September 6, 2017
On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability
Lukas N Wirz, Simen S Reine, Thomas Bondo Pedersen
Journal of Chemical Theory and Computation
|
November 22, 2015
Analytical Gradients of Hartree-Fock Exchange with Density Fitting Approximations
Jonas Boström, Francesco Aquilante, Thomas Bondo Pedersen, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions
Jonas Boström, Francesco Aquilante, Thomas Bondo Pedersen, et al.
The Journal of Physical Chemistry. A
|
December 18, 2025
Tribute to Trygve Helgaker
Thomas Bondo Pedersen, Erik Tellgren, Michele Cascella, et al.
Page
of 5