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The Journal of Chemical Physics
|
April 2, 2009
Structures and harmonic vibrational frequencies for excited states of diatomic molecules with CCSD(R12) and CCSD(F12) models
Jun Yang, Christof Hättig
The Journal of Chemical Physics
|
December 14, 2011
Local pair natural orbitals for excited states
Benjamin Helmich, Christof Hättig
The Journal of Chemical Physics
|
December 25, 2016
Perturbative triples correction for local pair natural orbital based explicitly correlated CCSD(F12*) using Laplace transformation techniques
Gunnar Schmitz, Christof Hättig
Journal of Chemical Theory and Computation
|
March 7, 2024
Role of Singles Amplitudes in ADC(2) and CC2 for Low-Lying Electronically Excited States
Niklas Sülzner, Christof Hättig
The Journal of Chemical Physics
|
April 28, 2007
Frequency-dependent nonlinear optical properties with explicitly correlated coupled-cluster response theory using the CCSD(R12) model
Christian Neiss, Christof Hättig
Physical Chemistry Chemical Physics : PCCP
|
April 4, 2020
Correction: A quantum chemical study of hydrogen adsorption on carbon-supported palladium clusters
Lisa Warczinski, Christof Hättig
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2019
A quantum chemical study of hydrogen adsorption on carbon-supported palladium clusters
Lisa Warczinski, Christof Hättig
Journal of Chemical Theory and Computation
|
May 18, 2017
Accuracy of Explicitly Correlated Local PNO-CCSD(T)
Gunnar Schmitz, Christof Hättig
The Journal of Chemical Physics
|
August 28, 2009
Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-zeta basis sets
Jun Yang, Christof Hättig
The Journal of Chemical Physics
|
July 21, 2007
On the internal rotations in p-cresol in its ground and first electronically excited states
Arnim Hellweg, Christof Hättig
Page
of 11
Search research articles
Search
Showing results (1-10 of 108) with videos related to
Sort By:
Page
of 11
The Journal of Chemical Physics
|
April 2, 2009
Structures and harmonic vibrational frequencies for excited states of diatomic molecules with CCSD(R12) and CCSD(F12) models
Jun Yang, Christof Hättig
The Journal of Chemical Physics
|
December 14, 2011
Local pair natural orbitals for excited states
Benjamin Helmich, Christof Hättig
The Journal of Chemical Physics
|
December 25, 2016
Perturbative triples correction for local pair natural orbital based explicitly correlated CCSD(F12*) using Laplace transformation techniques
Gunnar Schmitz, Christof Hättig
Journal of Chemical Theory and Computation
|
March 7, 2024
Role of Singles Amplitudes in ADC(2) and CC2 for Low-Lying Electronically Excited States
Niklas Sülzner, Christof Hättig
The Journal of Chemical Physics
|
April 28, 2007
Frequency-dependent nonlinear optical properties with explicitly correlated coupled-cluster response theory using the CCSD(R12) model
Christian Neiss, Christof Hättig
Physical Chemistry Chemical Physics : PCCP
|
April 4, 2020
Correction: A quantum chemical study of hydrogen adsorption on carbon-supported palladium clusters
Lisa Warczinski, Christof Hättig
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2019
A quantum chemical study of hydrogen adsorption on carbon-supported palladium clusters
Lisa Warczinski, Christof Hättig
Journal of Chemical Theory and Computation
|
May 18, 2017
Accuracy of Explicitly Correlated Local PNO-CCSD(T)
Gunnar Schmitz, Christof Hättig
The Journal of Chemical Physics
|
August 28, 2009
Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-zeta basis sets
Jun Yang, Christof Hättig
The Journal of Chemical Physics
|
July 21, 2007
On the internal rotations in p-cresol in its ground and first electronically excited states
Arnim Hellweg, Christof Hättig
Page
of 11