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Gidofalvi, Gergely
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1

The generality of the GUGA MRCI approach in COLUMBUS for tr..:

Lischka, Hans ; Shepard, Ron ; Müller, Thomas...
The Journal of Chemical Physics.  152 (2020)  13 - p. , 2020
Link: https://doi.org/10.1063/..
 
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2

Heterogeneous CPU + GPU Algorithm for Variational Two-Elect..:

Mullinax, J. Wayne ; Maradzike, Elvis ; Koulias, Lauren N....
Journal of Chemical Theory and Computation.  15 (2019)  11 - p. 6164-6178 , 2019
Link: https://doi.org/10.1021/..
 
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3

Representations of Shavitt Graphs Within the Graphical Unit..:

Shepard, Ron ; Brozell, Scott R. ; Gidofalvi, Gergely
Journal of Computational Chemistry.  41 (2019)  2 - p. 129-135 , 2019
Link: https://doi.org/10.1002/..
 
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4

Analytic Energy Gradients for Variational Two-Electron Redu..:

Mullinax, J. Wayne ; Epifanovsky, Evgeny ; Gidofalvi, Gergely.
Journal of Chemical Theory and Computation.  15 (2018)  1 - p. 276-289 , 2018
Link: https://doi.org/10.1021/..
 
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5

Analytic Energy Gradients for Variational Two-Electron Redu..:

Maradzike, Elvis ; Gidofalvi, Gergely ; Turney, Justin M...
Journal of Chemical Theory and Computation.  13 (2017)  9 - p. 4113-4122 , 2017
Link: https://doi.org/10.1021/..
 
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6

Large-Scale Variational Two-Electron Reduced-Density-Matrix..:

Fosso-Tande, Jacob ; Nguyen, Truong-Son ; Gidofalvi, Gergely.
Journal of Chemical Theory and Computation.  12 (2016)  5 - p. 2260-2271 , 2016
Link: https://doi.org/10.1021/..
 
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7

The Representation and Parametrization of Orthogonal Matric..:

Shepard, Ron ; Brozell, Scott R. ; Gidofalvi, Gergely
The Journal of Physical Chemistry A.  119 (2015)  28 - p. 7924-7939 , 2015
Link: https://doi.org/10.1021/..
 
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8

Molecule-Optimized Basis Sets and Hamiltonians for Accelera..:

Gidofalvi, Gergely ; Mazziotti, David A.
The Journal of Physical Chemistry A.  118 (2014)  2 - p. 495-502 , 2014
Link: https://doi.org/10.1021/..
 
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9

Wave function analysis with Shavitt graph density in the gr..:

Gidofalvi, Gergely ; Brozell, Scott R. ; Shepard, Ron
Theoretical Chemistry Accounts.  133 (2014)  9 - p. , 2014
Link: https://doi.org/10.1007/..
 
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10

The multifacet graphically contracted function method. II. ..:

Shepard, Ron ; Gidofalvi, Gergely ; Brozell, Scott R.
The Journal of Chemical Physics.  141 (2014)  6 - p. , 2014
Link: https://doi.org/10.1063/..
 
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11

The multifacet graphically contracted function method. I. F..:

Shepard, Ron ; Gidofalvi, Gergely ; Brozell, Scott R.
The Journal of Chemical Physics.  141 (2014)  6 - p. , 2014
Link: https://doi.org/10.1063/..
 
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12

Multiconfiguration Self-Consistent Field and Multireference..:

Szalay, Péter G. ; Müller, Thomas ; Gidofalvi, Gergely..
Chemical Reviews.  112 (2011)  1 - p. 108-181 , 2011
Link: https://doi.org/10.1021/..
 
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13

Strong Correlation in Acene Sheets from the Active-Space Va..:

Pelzer, Kenley ; Greenman, Loren ; Gidofalvi, Gergely.
The Journal of Physical Chemistry A.  115 (2011)  22 - p. 5632-5640 , 2011
Link: https://doi.org/10.1021/..
 
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14

An efficient recursive algorithm to compute wave function o..:

Shepard, Ron ; Gidofalvi, Gergely ; Hovland, Paul D.
International Journal of Quantum Chemistry.  110 (2010)  15 - p. 2938-2948 , 2010
Link: https://doi.org/10.1002/..
 
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15

Exploiting sparsity in the graphically contracted function ..:

Gidofalvi, Gergely ; Shepard, Ron
Molecular Physics.  108 (2010)  19-20 - p. 2717-2724 , 2010
Link: https://doi.org/10.1080/..
 
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