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The Journal of Chemical Physics
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May 17, 2014
Random-phase approximation correlation energies from Lanczos chains and an optimal basis set: theory and applications to the benzene dimer
Dario Rocca
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 7, 2016
Random phase approximation correlation energy using a compact representation for linear response functions: application to solids
Fawzi Kaoui, Dario Rocca
The Journal of Chemical Physics
|
November 2, 2010
Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory
Dario Rocca, Deyu Lu, Giulia Galli
Journal of Chemical Theory and Computation
|
August 14, 2020
Ab Initio Calculations of Free Energy of Activation at Multiple Electronic Structure Levels Made Affordable: An Effective Combination of Perturbation Theory and Machine Learning
Tomáš Bučko, Monika Gešvandtnerová, Dario Rocca
Chemical Society Reviews
|
February 22, 2013
Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory
Yuan Ping, Dario Rocca, Giulia Galli
The Journal of Chemical Physics
|
July 14, 2007
Weak binding between two aromatic rings: feeling the van der Waals attraction by quantum Monte Carlo methods
Sandro Sorella, Michele Casula, Dario Rocca
The Journal of Chemical Physics
|
July 23, 2004
Negative contributions in the velocity correlation function of supercooled liquid water
Alberto De Santis, Alessandro Ercoli, Dario Rocca
The Journal of Chemical Physics
|
September 17, 2016
Improving the accuracy of ground-state correlation energies within a plane-wave basis set: The electron-hole exchange kernel
Anant Dixit, János G Ángyán, Dario Rocca
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
October 4, 2003
Relative pair dynamics in simple supercooled liquids: longitudinal contributions
Alberto De Santis, Alessandro Ercoli, Dario Rocca
JACS Au
|
January 3, 2022
Beyond Conformational Control: Effects of Noncovalent Interactions on Molecular Electronic Properties of Conjugated Polymers
Bin Liu, Dario Rocca, He Yan, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
May 17, 2014
Random-phase approximation correlation energies from Lanczos chains and an optimal basis set: theory and applications to the benzene dimer
Dario Rocca
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 7, 2016
Random phase approximation correlation energy using a compact representation for linear response functions: application to solids
Fawzi Kaoui, Dario Rocca
The Journal of Chemical Physics
|
November 2, 2010
Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory
Dario Rocca, Deyu Lu, Giulia Galli
Journal of Chemical Theory and Computation
|
August 14, 2020
Ab Initio Calculations of Free Energy of Activation at Multiple Electronic Structure Levels Made Affordable: An Effective Combination of Perturbation Theory and Machine Learning
Tomáš Bučko, Monika Gešvandtnerová, Dario Rocca
Chemical Society Reviews
|
February 22, 2013
Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory
Yuan Ping, Dario Rocca, Giulia Galli
The Journal of Chemical Physics
|
July 14, 2007
Weak binding between two aromatic rings: feeling the van der Waals attraction by quantum Monte Carlo methods
Sandro Sorella, Michele Casula, Dario Rocca
The Journal of Chemical Physics
|
July 23, 2004
Negative contributions in the velocity correlation function of supercooled liquid water
Alberto De Santis, Alessandro Ercoli, Dario Rocca
The Journal of Chemical Physics
|
September 17, 2016
Improving the accuracy of ground-state correlation energies within a plane-wave basis set: The electron-hole exchange kernel
Anant Dixit, János G Ángyán, Dario Rocca
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
October 4, 2003
Relative pair dynamics in simple supercooled liquids: longitudinal contributions
Alberto De Santis, Alessandro Ercoli, Dario Rocca
JACS Au
|
January 3, 2022
Beyond Conformational Control: Effects of Noncovalent Interactions on Molecular Electronic Properties of Conjugated Polymers
Bin Liu, Dario Rocca, He Yan, et al.
Page
of 4