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The Journal of Physical Chemistry. A
|
May 18, 2018
Strong Electron Correlation in Nitrogenase Cofactor, FeMoco
Jason M Montgomery, David A Mazziotti
The Journal of Physical Chemistry. B
|
April 16, 2009
Molecular geometries and harmonic frequencies from the parametric two-electron reduced density matrix method with application to the HCN < = > HNC isomerization
A Eugene DePrince, David A Mazziotti
The Journal of Chemical Physics
|
June 18, 2009
Convex-set description of quantum phase transitions in the transverse Ising model using reduced-density-matrix theory
Christine A Schwerdtfeger, David A Mazziotti
The Journal of Chemical Physics
|
October 10, 2015
Enhanced computational efficiency in the direct determination of the two-electron reduced density matrix from the anti-Hermitian contracted Schrödinger equation with application to ground and excited states of conjugated π-systems
Andrew M Sand, David A Mazziotti
The Journal of Chemical Physics
|
May 21, 2022
Elucidating the molecular orbital dependence of the total electronic energy in multireference problems
Jan-Niklas Boyn, David A Mazziotti
Journal of Chemical Theory and Computation
|
September 1, 2022
Accelerated Convergence of Contracted Quantum Eigensolvers through a Quasi-Second-Order, Locally Parameterized Optimization
Scott E Smart, David A Mazziotti
The Journal of Chemical Physics
|
February 10, 2015
Communication: satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matrices
Kade Head-Marsden, David A Mazziotti
The Journal of Chemical Physics
|
July 20, 2011
Photoexcited conversion of gauche-1,3-butadiene to bicyclobutane via a conical intersection: energies and reduced density matrices from the anti-Hermitian contracted Schrödinger equation
James W Snyder, David A Mazziotti
The Journal of Chemical Physics
|
May 2, 2016
Pseudospectral Gaussian quantum dynamics: Efficient sampling of potential energy surfaces
Charles W Heaps, David A Mazziotti
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2020
Non-equilibrium steady state conductivity in cyclo[18]carbon and its boron nitride analogue
Alexandra E Raeber, David A Mazziotti
Page
of 25
Search research articles
Search
Showing results (61-70 of 248) with videos related to
Sort By:
Page
of 25
The Journal of Physical Chemistry. A
|
May 18, 2018
Strong Electron Correlation in Nitrogenase Cofactor, FeMoco
Jason M Montgomery, David A Mazziotti
The Journal of Physical Chemistry. B
|
April 16, 2009
Molecular geometries and harmonic frequencies from the parametric two-electron reduced density matrix method with application to the HCN < = > HNC isomerization
A Eugene DePrince, David A Mazziotti
The Journal of Chemical Physics
|
June 18, 2009
Convex-set description of quantum phase transitions in the transverse Ising model using reduced-density-matrix theory
Christine A Schwerdtfeger, David A Mazziotti
The Journal of Chemical Physics
|
October 10, 2015
Enhanced computational efficiency in the direct determination of the two-electron reduced density matrix from the anti-Hermitian contracted Schrödinger equation with application to ground and excited states of conjugated π-systems
Andrew M Sand, David A Mazziotti
The Journal of Chemical Physics
|
May 21, 2022
Elucidating the molecular orbital dependence of the total electronic energy in multireference problems
Jan-Niklas Boyn, David A Mazziotti
Journal of Chemical Theory and Computation
|
September 1, 2022
Accelerated Convergence of Contracted Quantum Eigensolvers through a Quasi-Second-Order, Locally Parameterized Optimization
Scott E Smart, David A Mazziotti
The Journal of Chemical Physics
|
February 10, 2015
Communication: satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matrices
Kade Head-Marsden, David A Mazziotti
The Journal of Chemical Physics
|
July 20, 2011
Photoexcited conversion of gauche-1,3-butadiene to bicyclobutane via a conical intersection: energies and reduced density matrices from the anti-Hermitian contracted Schrödinger equation
James W Snyder, David A Mazziotti
The Journal of Chemical Physics
|
May 2, 2016
Pseudospectral Gaussian quantum dynamics: Efficient sampling of potential energy surfaces
Charles W Heaps, David A Mazziotti
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2020
Non-equilibrium steady state conductivity in cyclo[18]carbon and its boron nitride analogue
Alexandra E Raeber, David A Mazziotti
Page
of 25