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Francesco Aquilante

Showing results (1-10 of 41) with videos related to

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Physical Chemistry Chemical Physics : PCCP|January 12, 2007
p-Benzoquinone in aqueous solution: Stark shifts in spectra, asymmetry in solvent structureAnders Ohrn, Francesco Aquilante
The Journal of Chemical Physics|September 8, 2011
Self-consistency in frozen-density embedding theory based calculationsFrancesco Aquilante, Tomasz A Wesołowski
The Journal of Physical Chemistry. B|July 22, 2009
Calculation of protein-ligand interaction energies by a fragmentation approach combining high-level quantum chemistry with classical many-body effectsPär Söderhjelm, Francesco Aquilante, Ulf Ryde
The Journal of Chemical Physics|September 25, 2007
Unbiased auxiliary basis sets for accurate two-electron integral approximationsFrancesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
The Journal of Chemical Physics|January 26, 2011
Strong correlation treated via effective hamiltonians and perturbation theoryGiovanni Li Manni, Francesco Aquilante, Laura Gagliardi
The Journal of Chemical Physics|May 26, 2007
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integralsFrancesco Aquilante, Thomas Bondo Pedersen, Roland Lindh
The Journal of Chemical Physics|July 24, 2008
Analytic derivatives for the Cholesky representation of the two-electron integralsFrancesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
The Journal of Chemical Physics|November 2, 2015
Orthogonality of embedded wave functions for different states in frozen-density embedding theoryAlexander Zech, Francesco Aquilante, Tomasz A Wesolowski
Journal of Computational Chemistry|July 22, 2014
A two-scale approach to electron correlation in multiconfigurational perturbation theoryPooria Farahani, Daniel Roca-Sanjuán, Francesco Aquilante
Journal of Chemical Theory and Computation|November 18, 2015
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical ProblemsJavier Segarra-Martí, Marco Garavelli, Francesco Aquilante
Pageof 5

Showing results (1-10 of 41) with videos related to

Sort By:
Pageof 5
Physical Chemistry Chemical Physics : PCCP|January 12, 2007
p-Benzoquinone in aqueous solution: Stark shifts in spectra, asymmetry in solvent structureAnders Ohrn, Francesco Aquilante
The Journal of Chemical Physics|September 8, 2011
Self-consistency in frozen-density embedding theory based calculationsFrancesco Aquilante, Tomasz A Wesołowski
The Journal of Physical Chemistry. B|July 22, 2009
Calculation of protein-ligand interaction energies by a fragmentation approach combining high-level quantum chemistry with classical many-body effectsPär Söderhjelm, Francesco Aquilante, Ulf Ryde
The Journal of Chemical Physics|September 25, 2007
Unbiased auxiliary basis sets for accurate two-electron integral approximationsFrancesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
The Journal of Chemical Physics|January 26, 2011
Strong correlation treated via effective hamiltonians and perturbation theoryGiovanni Li Manni, Francesco Aquilante, Laura Gagliardi
The Journal of Chemical Physics|May 26, 2007
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integralsFrancesco Aquilante, Thomas Bondo Pedersen, Roland Lindh
The Journal of Chemical Physics|July 24, 2008
Analytic derivatives for the Cholesky representation of the two-electron integralsFrancesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
The Journal of Chemical Physics|November 2, 2015
Orthogonality of embedded wave functions for different states in frozen-density embedding theoryAlexander Zech, Francesco Aquilante, Tomasz A Wesolowski
Journal of Computational Chemistry|July 22, 2014
A two-scale approach to electron correlation in multiconfigurational perturbation theoryPooria Farahani, Daniel Roca-Sanjuán, Francesco Aquilante
Journal of Chemical Theory and Computation|November 18, 2015
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical ProblemsJavier Segarra-Martí, Marco Garavelli, Francesco Aquilante
Pageof 5