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Ajith Perera

Showing results (31-40 of 57) with videos related to

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The Journal of Chemical Physics|May 3, 2018
Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical moleculesJesse J Lutz, Marcel Nooijen, Ajith Perera, et al.
The Journal of Chemical Physics|November 17, 2017
Single-reference coupled cluster theory for multi-reference problemsJohannes T Margraf, Ajith Perera, Jesse J Lutz, et al.
The Journal of Physical Chemistry. A|May 20, 2026
On the Performance of QTP Functionals Applied to Second-Order Response Properties II: Dynamic Polarizability and Long-Range C<sub>6</sub> CoefficientsRodrigo A Mendes, Peter R Franke, Ajith Perera, et al.
The Journal of Chemical Physics|June 10, 2008
Anharmonic vibrational frequencies and vibrationally averaged structures and nuclear magnetic resonance parameters of FHF-So Hirata, Kiyoshi Yagi, S Ajith Perera, et al.
The Journal of Chemical Physics|February 24, 2019
Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionalsDuminda S Ranasinghe, Johannes T Margraf, Ajith Perera, et al.
The Journal of Chemical Physics|March 5, 2014
Monte Carlo configuration interaction with perturbation corrections for dissociation energies of first row diatomic molecules: C2, N2, O2, CO, and NOThomas P Kelly, Ajith Perera, Rodney J Bartlett, et al.
The Journal of Chemical Physics|March 3, 2005
Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited statesSébastien Villaume, Chantal Daniel, Alain Strich, et al.
Physical Chemistry Chemical Physics : PCCP|January 3, 2008
A coupled cluster study of the electronic spectroscopy and photochemistry of Cr(CO)6Sébastien Villaume, Alain Strich, Chantal Daniel, et al.
The Journal of Physical Chemistry. A|March 12, 2013
Benchmark studies on the building blocks of DNA. 3. Watson-Crick and stacked base pairsPéter G Szalay, Thomas Watson, Ajith Perera, et al.
The Journal of Chemical Physics|July 9, 2021
Explicitly correlated Fock-space coupled-cluster singles and doubles method for (1,1), (0,2), and (2,0) sectorsDenis Bokhan, Alexander S Bednyakov, Monika Musiał, et al.
Pageof 6

Showing results (31-40 of 57) with videos related to

Sort By:
Pageof 6
The Journal of Chemical Physics|May 3, 2018
Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical moleculesJesse J Lutz, Marcel Nooijen, Ajith Perera, et al.
The Journal of Chemical Physics|November 17, 2017
Single-reference coupled cluster theory for multi-reference problemsJohannes T Margraf, Ajith Perera, Jesse J Lutz, et al.
The Journal of Physical Chemistry. A|May 20, 2026
On the Performance of QTP Functionals Applied to Second-Order Response Properties II: Dynamic Polarizability and Long-Range C<sub>6</sub> CoefficientsRodrigo A Mendes, Peter R Franke, Ajith Perera, et al.
The Journal of Chemical Physics|June 10, 2008
Anharmonic vibrational frequencies and vibrationally averaged structures and nuclear magnetic resonance parameters of FHF-So Hirata, Kiyoshi Yagi, S Ajith Perera, et al.
The Journal of Chemical Physics|February 24, 2019
Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionalsDuminda S Ranasinghe, Johannes T Margraf, Ajith Perera, et al.
The Journal of Chemical Physics|March 5, 2014
Monte Carlo configuration interaction with perturbation corrections for dissociation energies of first row diatomic molecules: C2, N2, O2, CO, and NOThomas P Kelly, Ajith Perera, Rodney J Bartlett, et al.
The Journal of Chemical Physics|March 3, 2005
Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited statesSébastien Villaume, Chantal Daniel, Alain Strich, et al.
Physical Chemistry Chemical Physics : PCCP|January 3, 2008
A coupled cluster study of the electronic spectroscopy and photochemistry of Cr(CO)6Sébastien Villaume, Alain Strich, Chantal Daniel, et al.
The Journal of Physical Chemistry. A|March 12, 2013
Benchmark studies on the building blocks of DNA. 3. Watson-Crick and stacked base pairsPéter G Szalay, Thomas Watson, Ajith Perera, et al.
The Journal of Chemical Physics|July 9, 2021
Explicitly correlated Fock-space coupled-cluster singles and doubles method for (1,1), (0,2), and (2,0) sectorsDenis Bokhan, Alexander S Bednyakov, Monika Musiał, et al.
Pageof 6