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Gergely Gidofalvi

Showing results (1-10 of 22) with videos related to

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The Journal of Chemical Physics|January 19, 2007
Molecular properties from variational reduced-density-matrix theory with three-particle N-representability conditionsGergely Gidofalvi, David A Mazziotti
Journal of Computational Chemistry|April 11, 2009
Computation of determinant expansion coefficients within the graphically contracted function methodGergely Gidofalvi, Ron Shepard
The Journal of Chemical Physics|October 18, 2006
Computation of dipole, quadrupole, and octupole surfaces from the variational two-electron reduced density matrix methodGergely Gidofalvi, David A Mazziotti
The Journal of Chemical Physics|April 20, 2005
Application of variational reduced-density-matrix theory to organic moleculesGergely Gidofalvi, David A Mazziotti
The Journal of Physical Chemistry. A|April 21, 2006
Variational reduced-density-matrix theory applied to the potential energy surfaces of carbon monoxide in the presence of electric fieldsGergely Gidofalvi, David A Mazziotti
The Journal of Chemical Physics|January 1, 2008
Multireference self-consistent-field energies without the many-electron wave function through a variational low-rank two-electron reduced-density-matrix methodGergely Gidofalvi, David A Mazziotti
The Journal of Chemical Physics|September 16, 2005
Application of variational reduced-density-matrix theory to the potential energy surfaces of the nitrogen and carbon dimersGergely Gidofalvi, David A Mazziotti
The Journal of Chemical Physics|December 3, 2008
Active-space two-electron reduced-density-matrix method: complete active-space calculations without diagonalization of the N-electron HamiltonianGergely Gidofalvi, David A Mazziotti
The Journal of Physical Chemistry. A|January 7, 2014
Molecule-optimized basis sets and Hamiltonians for accelerated electronic structure calculations of atoms and moleculesGergely Gidofalvi, David A Mazziotti
The Journal of Chemical Physics|August 20, 2014
The multifacet graphically contracted function method. II. A general procedure for the parameterization of orthogonal matrices and its application to arc factorsRon Shepard, Gergely Gidofalvi, Scott R Brozell
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|January 19, 2007
Molecular properties from variational reduced-density-matrix theory with three-particle N-representability conditionsGergely Gidofalvi, David A Mazziotti
Journal of Computational Chemistry|April 11, 2009
Computation of determinant expansion coefficients within the graphically contracted function methodGergely Gidofalvi, Ron Shepard
The Journal of Chemical Physics|October 18, 2006
Computation of dipole, quadrupole, and octupole surfaces from the variational two-electron reduced density matrix methodGergely Gidofalvi, David A Mazziotti
The Journal of Chemical Physics|April 20, 2005
Application of variational reduced-density-matrix theory to organic moleculesGergely Gidofalvi, David A Mazziotti
The Journal of Physical Chemistry. A|April 21, 2006
Variational reduced-density-matrix theory applied to the potential energy surfaces of carbon monoxide in the presence of electric fieldsGergely Gidofalvi, David A Mazziotti
The Journal of Chemical Physics|January 1, 2008
Multireference self-consistent-field energies without the many-electron wave function through a variational low-rank two-electron reduced-density-matrix methodGergely Gidofalvi, David A Mazziotti
The Journal of Chemical Physics|September 16, 2005
Application of variational reduced-density-matrix theory to the potential energy surfaces of the nitrogen and carbon dimersGergely Gidofalvi, David A Mazziotti
The Journal of Chemical Physics|December 3, 2008
Active-space two-electron reduced-density-matrix method: complete active-space calculations without diagonalization of the N-electron HamiltonianGergely Gidofalvi, David A Mazziotti
The Journal of Physical Chemistry. A|January 7, 2014
Molecule-optimized basis sets and Hamiltonians for accelerated electronic structure calculations of atoms and moleculesGergely Gidofalvi, David A Mazziotti
The Journal of Chemical Physics|August 20, 2014
The multifacet graphically contracted function method. II. A general procedure for the parameterization of orthogonal matrices and its application to arc factorsRon Shepard, Gergely Gidofalvi, Scott R Brozell
Pageof 3