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The Journal of Chemical Physics
|
November 16, 2010
pCCSD: parameterized coupled-cluster theory with single and double excitations
Lee M J Huntington, Marcel Nooijen
The Journal of Chemical Physics
|
May 24, 2015
Application of multireference equation of motion coupled-cluster theory to transition metal complexes and an orbital selection scheme for the efficient calculation of excitation energies
Lee M J Huntington, Marcel Nooijen
The Journal of Chemical Physics
|
March 1, 2024
Time dependent vibrational electronic coupled cluster (VECC) theory for non-adiabatic nuclear dynamics
Songhao Bao, Neil Raymond, Marcel Nooijen
The Journal of Chemical Physics
|
June 14, 2011
A state-specific partially internally contracted multireference coupled cluster approach
Dipayan Datta, Liguo Kong, Marcel Nooijen
The Journal of Chemical Physics
|
April 12, 2013
Additional global internal contraction in variations of multireference equation of motion coupled cluster theory
Ondřej Demel, Dipayan Datta, Marcel Nooijen
The Journal of Chemical Physics
|
September 28, 2004
Vibronic coupling and double excitations in linear response time-dependent density functional calculations: dipole-allowed states of N2
Johannes Neugebauer, Evert Jan Baerends, Marcel Nooijen
The Journal of Chemical Physics
|
February 10, 2018
Similarity-transformed equation-of-motion vibrational coupled-cluster theory
Jacob A Faucheaux, Marcel Nooijen, So Hirata
The Journal of Chemical Physics
|
March 22, 2023
Further investigations into a Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals: Multipole correction, OSV extrapolation, and critical assessment
Ondřej Demel, Michael J Lecours, Marcel Nooijen
The Journal of Physical Chemistry. A
|
July 13, 2006
Vibronic structure of the permanganate absorption spectrum from time-dependent density functional calculations
Johannes Neugebauer, Evert Jan Baerends, Marcel Nooijen
The Journal of Chemical Physics
|
July 21, 2004
First principles simulation of the UV absorption spectrum of ethylene using the vertical Franck-Condon approach
Anirban Hazra, Hannah H Chang, Marcel Nooijen
Page
of 5
Search research articles
Search
Showing results (11-20 of 42) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
November 16, 2010
pCCSD: parameterized coupled-cluster theory with single and double excitations
Lee M J Huntington, Marcel Nooijen
The Journal of Chemical Physics
|
May 24, 2015
Application of multireference equation of motion coupled-cluster theory to transition metal complexes and an orbital selection scheme for the efficient calculation of excitation energies
Lee M J Huntington, Marcel Nooijen
The Journal of Chemical Physics
|
March 1, 2024
Time dependent vibrational electronic coupled cluster (VECC) theory for non-adiabatic nuclear dynamics
Songhao Bao, Neil Raymond, Marcel Nooijen
The Journal of Chemical Physics
|
June 14, 2011
A state-specific partially internally contracted multireference coupled cluster approach
Dipayan Datta, Liguo Kong, Marcel Nooijen
The Journal of Chemical Physics
|
April 12, 2013
Additional global internal contraction in variations of multireference equation of motion coupled cluster theory
Ondřej Demel, Dipayan Datta, Marcel Nooijen
The Journal of Chemical Physics
|
September 28, 2004
Vibronic coupling and double excitations in linear response time-dependent density functional calculations: dipole-allowed states of N2
Johannes Neugebauer, Evert Jan Baerends, Marcel Nooijen
The Journal of Chemical Physics
|
February 10, 2018
Similarity-transformed equation-of-motion vibrational coupled-cluster theory
Jacob A Faucheaux, Marcel Nooijen, So Hirata
The Journal of Chemical Physics
|
March 22, 2023
Further investigations into a Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals: Multipole correction, OSV extrapolation, and critical assessment
Ondřej Demel, Michael J Lecours, Marcel Nooijen
The Journal of Physical Chemistry. A
|
July 13, 2006
Vibronic structure of the permanganate absorption spectrum from time-dependent density functional calculations
Johannes Neugebauer, Evert Jan Baerends, Marcel Nooijen
The Journal of Chemical Physics
|
July 21, 2004
First principles simulation of the UV absorption spectrum of ethylene using the vertical Franck-Condon approach
Anirban Hazra, Hannah H Chang, Marcel Nooijen
Page
of 5