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The Journal of Chemical Physics
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November 10, 2009
On the difference between the transition properties calculated with linear response- and equation of motion-CCSD approaches
Marco Caricato, Gary W Trucks, Michael J Frisch
Journal of Chemical Theory and Computation
|
December 1, 2015
A Comparison of Three Variants of the Generalized Davidson Algorithm for the Partial Diagonalization of Large Non-Hermitian Matrices
Marco Caricato, Gary W Trucks, Michael J Frisch
Journal of Chemical Theory and Computation
|
November 26, 2015
Projected Coupled Cluster Amplitudes from a Different Basis Set As Initial Guess
Marco Caricato, Gary W Trucks, Michael J Frisch
The Journal of Chemical Physics
|
August 17, 2010
Link atom bond length effect in ONIOM excited state calculations
Marco Caricato, Thom Vreven, Gary W Trucks, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Oscillator Strengths in ONIOM Excited State Calculations
Marco Caricato, Thom Vreven, Gary W Trucks, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment
Marco Caricato, Gary W Trucks, Michael J Frisch, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Oscillator Strength: How Does TDDFT Compare to EOM-CCSD?
Marco Caricato, Gary W Trucks, Michael J Frisch, et al.
The Journal of Chemical Physics
|
March 3, 2010
Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach
Marco Caricato, Benedetta Mennucci, Giovanni Scalmani, et al.
The Journal of Chemical Physics
|
October 10, 2009
Using the ONIOM hybrid method to apply equation of motion CCSD to larger systems: benchmarking and comparison with time-dependent density functional theory, configuration interaction singles, and time-dependent Hartree-Fock
Marco Caricato, Thom Vreven, Gary W Trucks, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Density of States Guided Møller-Plesset Perturbation Theory
Patrick J Lestrange, Bo Peng, Feizhi Ding, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
November 10, 2009
On the difference between the transition properties calculated with linear response- and equation of motion-CCSD approaches
Marco Caricato, Gary W Trucks, Michael J Frisch
Journal of Chemical Theory and Computation
|
December 1, 2015
A Comparison of Three Variants of the Generalized Davidson Algorithm for the Partial Diagonalization of Large Non-Hermitian Matrices
Marco Caricato, Gary W Trucks, Michael J Frisch
Journal of Chemical Theory and Computation
|
November 26, 2015
Projected Coupled Cluster Amplitudes from a Different Basis Set As Initial Guess
Marco Caricato, Gary W Trucks, Michael J Frisch
The Journal of Chemical Physics
|
August 17, 2010
Link atom bond length effect in ONIOM excited state calculations
Marco Caricato, Thom Vreven, Gary W Trucks, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Oscillator Strengths in ONIOM Excited State Calculations
Marco Caricato, Thom Vreven, Gary W Trucks, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment
Marco Caricato, Gary W Trucks, Michael J Frisch, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Oscillator Strength: How Does TDDFT Compare to EOM-CCSD?
Marco Caricato, Gary W Trucks, Michael J Frisch, et al.
The Journal of Chemical Physics
|
March 3, 2010
Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach
Marco Caricato, Benedetta Mennucci, Giovanni Scalmani, et al.
The Journal of Chemical Physics
|
October 10, 2009
Using the ONIOM hybrid method to apply equation of motion CCSD to larger systems: benchmarking and comparison with time-dependent density functional theory, configuration interaction singles, and time-dependent Hartree-Fock
Marco Caricato, Thom Vreven, Gary W Trucks, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Density of States Guided Møller-Plesset Perturbation Theory
Patrick J Lestrange, Bo Peng, Feizhi Ding, et al.
Page
of 1