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The Journal of Chemical Physics
|
May 17, 2014
Accurate and systematically improvable density functional theory embedding for correlated wavefunctions
Jason D Goodpaster, Taylor A Barnes, Frederick R Manby, et al.
The Journal of Chemical Physics
|
March 11, 2006
Explicitly correlated local second-order perturbation theory with a frozen geminal correlation factor
Frederick R Manby, Hans-Joachim Werner, Thomas B Adler, et al.
The Journal of Chemical Physics
|
December 9, 2020
Coupling electrons and vibrations in molecular quantum chemistry
Thomas Dresselhaus, Callum B A Bungey, Peter J Knowles, et al.
Accounts of Chemical Research
|
April 11, 2019
Projection-Based Wavefunction-in-DFT Embedding
Sebastian J R Lee, Matthew Welborn, Frederick R Manby, et al.
The Journal of Chemical Physics
|
July 19, 2013
Accurate basis set truncation for wavefunction embedding
Taylor A Barnes, Jason D Goodpaster, Frederick R Manby, et al.
The Journal of Chemical Physics
|
December 20, 2012
Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexes
Jason D Goodpaster, Taylor A Barnes, Frederick R Manby, et al.
The Journal of Chemical Physics
|
September 17, 2015
Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces
Angelos Michaelides, Todd J Martinez, Ali Alavi, et al.
The Journal of Physical Chemistry Letters
|
October 28, 2017
Pushing the Limits of EOM-CCSD with Projector-Based Embedding for Excitation Energies
Simon J Bennie, Basile F E Curchod, Frederick R Manby, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Correction to Embedded Mean-Field Theory
Mark E Fornace, Joonho Lee, Kaito Miyamoto, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Embedded mean-field theory
Mark E Fornace, Joonho Lee, Kaito Miyamoto, et al.
Page
of 8
Search research articles
Search
Showing results (41-50 of 76) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
May 17, 2014
Accurate and systematically improvable density functional theory embedding for correlated wavefunctions
Jason D Goodpaster, Taylor A Barnes, Frederick R Manby, et al.
The Journal of Chemical Physics
|
March 11, 2006
Explicitly correlated local second-order perturbation theory with a frozen geminal correlation factor
Frederick R Manby, Hans-Joachim Werner, Thomas B Adler, et al.
The Journal of Chemical Physics
|
December 9, 2020
Coupling electrons and vibrations in molecular quantum chemistry
Thomas Dresselhaus, Callum B A Bungey, Peter J Knowles, et al.
Accounts of Chemical Research
|
April 11, 2019
Projection-Based Wavefunction-in-DFT Embedding
Sebastian J R Lee, Matthew Welborn, Frederick R Manby, et al.
The Journal of Chemical Physics
|
July 19, 2013
Accurate basis set truncation for wavefunction embedding
Taylor A Barnes, Jason D Goodpaster, Frederick R Manby, et al.
The Journal of Chemical Physics
|
December 20, 2012
Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexes
Jason D Goodpaster, Taylor A Barnes, Frederick R Manby, et al.
The Journal of Chemical Physics
|
September 17, 2015
Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces
Angelos Michaelides, Todd J Martinez, Ali Alavi, et al.
The Journal of Physical Chemistry Letters
|
October 28, 2017
Pushing the Limits of EOM-CCSD with Projector-Based Embedding for Excitation Energies
Simon J Bennie, Basile F E Curchod, Frederick R Manby, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Correction to Embedded Mean-Field Theory
Mark E Fornace, Joonho Lee, Kaito Miyamoto, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Embedded mean-field theory
Mark E Fornace, Joonho Lee, Kaito Miyamoto, et al.
Page
of 8