Isoelectronic analogue of oxywater: a parametric two-electron reduced-density-matrix study of ammonia oxide

We investigate the time evolution of the reduced density matrix (RDM) and its purity in the dynamics of a two-level system coupled to a dissipative harmonic bath, when the system is initially placed in one of its eigenstates.

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Reexamining the variational two-particle reduced density matrix for nuclear systems

Physical Review C ◽

10.1103/physrevc.103.064324 ◽

2021 ◽

Vol 103 (6) ◽

Author(s):

J. G. Li ◽

N. Michel ◽

W. Zuo ◽

F. R. Xu

Keyword(s):

Density Matrix ◽

Reduced Density Matrix ◽

Nuclear Systems ◽

Reduced Density

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The cumulant two-particle reduced density matrix as a measure of electron correlation and entanglement

The Journal of Chemical Physics ◽

10.1063/1.2378768 ◽

2006 ◽

Vol 125 (17) ◽

pp. 174105 ◽

Cited By ~ 57

Author(s):

Tamás Juhász ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Electron Correlation ◽

Reduced Density Matrix ◽

Reduced Density

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Variational two-electron reduced-density-matrix theory: Partial 3-positivity conditions forN-representability

Physical Review A ◽

10.1103/physreva.71.062503 ◽

2005 ◽

Vol 71 (6) ◽

Cited By ~ 31

Author(s):

Jeff R. Hammond ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Matrix Theory ◽

Reduced Density Matrix ◽

Reduced Density ◽

Density Matrix Theory

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Effect of molecular-orbital rotations on ground-state energies in the parametric two-electron reduced density matrix method

The Journal of Chemical Physics ◽

10.1063/1.4811202 ◽

2013 ◽

Vol 138 (24) ◽

pp. 244102 ◽

Cited By ~ 7

Author(s):

Andrew M. Sand ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Molecular Orbital ◽

Ground State ◽

Matrix Method ◽

Reduced Density Matrix ◽

Reduced Density ◽

Ground State Energies

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Unraveling the Band Gap Trend in the Narrowest Graphene Nanoribbons from the Spin-Adapted Excited-Spectra Reduced Density Matrix Method

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b01627 ◽

2019 ◽

Vol 123 (23) ◽

pp. 14619-14624 ◽

Cited By ~ 3

Author(s):

Shayan Hemmatiyan ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Band Gap ◽

Matrix Method ◽

Graphene Nanoribbons ◽

Reduced Density Matrix ◽

Reduced Density

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Application of variational reduced-density-matrix theory to the potential energy surfaces of the nitrogen and carbon dimers

The Journal of Chemical Physics ◽

10.1063/1.1901565 ◽

2005 ◽

Vol 122 (19) ◽

pp. 194104 ◽

Cited By ~ 30

Author(s):

Gergely Gidofalvi ◽

David A. Mazziotti

Keyword(s):

Potential Energy ◽

Density Matrix ◽

Potential Energy Surfaces ◽

Matrix Theory ◽

Reduced Density Matrix ◽

Energy Surfaces ◽

Reduced Density ◽

Density Matrix Theory

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Resolvent approach for the evaluation of the reduced density-matrix functional of correlated electron systems

10.1063/1.4818405 ◽

2013 ◽

Author(s):

Ebad Kamil ◽

Thomas Pruschke ◽

Peter E. Blöchl

Keyword(s):

Density Matrix ◽

Reduced Density Matrix ◽

Electron Systems ◽

Correlated Electron Systems ◽

Correlated Electron ◽

Resolvent Approach ◽

Reduced Density

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