Excited-State Spectra of Strongly Correlated Molecules from a Reduced-Density-Matrix Approach

S. Hemmatiyan; M. Sajjan; A. W. Schlimgen; D. A. Mazziotti

doi:10.1021/acs.jpclett.8b02455

Excited-State Spectra of Strongly Correlated Molecules from a Reduced-Density-Matrix Approach

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.8b02455 ◽

2018 ◽

Vol 9 (18) ◽

pp. 5373-5378 ◽

Cited By ~ 5

Author(s):

S. Hemmatiyan ◽

M. Sajjan ◽

A. W. Schlimgen ◽

D. A. Mazziotti

Keyword(s):

Excited State ◽

Density Matrix ◽

Reduced Density Matrix ◽

Strongly Correlated ◽

Matrix Approach ◽

Reduced Density

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Quasi-particle entanglement: redefinition of the vacuum and reduced density matrix approach

New Journal of Physics ◽

10.1088/1367-2630/7/1/176 ◽

2005 ◽

Vol 7 ◽

pp. 176-176 ◽

Cited By ~ 25

Author(s):

P Samuelsson ◽

E V Sukhorukov ◽

M Büttiker

Keyword(s):

Density Matrix ◽

Reduced Density Matrix ◽

Matrix Approach ◽

Quasi Particle ◽

Reduced Density

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The electronic ground-state energy problem: A new reduced density matrix approach

The Journal of Chemical Physics ◽

10.1063/1.2222358 ◽

2006 ◽

Vol 125 (6) ◽

pp. 064101 ◽

Cited By ~ 79

Author(s):

Eric Cancès ◽

Gabriel Stoltz ◽

Mathieu Lewin

Keyword(s):

Density Matrix ◽

Ground State Energy ◽

Ground State ◽

State Energy ◽

Electronic Ground State ◽

Reduced Density Matrix ◽

Matrix Approach ◽

Energy Problem ◽

Reduced Density ◽

Electronic Ground

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Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrix

The Journal of Chemical Physics ◽

10.1063/1.2890961 ◽

2008 ◽

Vol 128 (11) ◽

pp. 114109 ◽

Cited By ~ 24

Author(s):

Loren Greenman ◽

David A. Mazziotti

Keyword(s):

Excited State ◽

Density Matrix ◽

Ground State ◽

Linear Response ◽

Linear Response Theory ◽

Reduced Density Matrix ◽

Response Theory ◽

Electronic Excited State ◽

Reduced Density

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The Electronic Structure of Crystalline Lithium Hydride - A Reduced Density Matrix Approach

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19920961145 ◽

1992 ◽

Vol 96 (11) ◽

pp. 1747-1755 ◽

Cited By ~ 10

Author(s):

Tanja Asthalter ◽

Wolf Weyrich

Keyword(s):

Electronic Structure ◽

Density Matrix ◽

Lithium Hydride ◽

Reduced Density Matrix ◽

Matrix Approach ◽

Reduced Density

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Effects of a quantum heat bath on the dynamics of a nonlinear subsystem: reduced density matrix approach

Chemical Physics ◽

10.1016/0301-0104(95)00225-d ◽

1995 ◽

Vol 199 (1) ◽

pp. 1-18 ◽

Cited By ~ 6

Author(s):

V. Szőcs ◽

P. Baňacký ◽

P. Reineker

Keyword(s):

Density Matrix ◽

Heat Bath ◽

Reduced Density Matrix ◽

Matrix Approach ◽

Reduced Density

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Quantum transport and quantum measurement in mesoscopic systems: reduced density matrix approach

10.14711/thesis-b1118208 ◽

2010 ◽

Author(s):

Junyan Luo

Keyword(s):

Density Matrix ◽

Quantum Transport ◽

Quantum Measurement ◽

Reduced Density Matrix ◽

Matrix Approach ◽

Mesoscopic Systems ◽

Reduced Density

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Reduced density matrix approach for gas-solid scattering

Chemical Physics Letters ◽

10.1016/s0009-2614(97)00404-1 ◽

1997 ◽

Vol 270 (5-6) ◽

pp. 484-490 ◽

Cited By ~ 19

Author(s):

Bret Jackson

Keyword(s):

Density Matrix ◽

Reduced Density Matrix ◽

Matrix Approach ◽

Reduced Density

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Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions

The Journal of Chemical Physics ◽

10.1063/1.4986804 ◽

2017 ◽

Vol 147 (18) ◽

pp. 184110 ◽

Cited By ~ 5

Author(s):

Erik P. Hoy ◽

David A. Mazziotti ◽

Tamar Seideman

Keyword(s):

Electron Transport ◽

Density Matrix ◽

Molecular Junctions ◽

Reduced Density Matrix ◽

Matrix Approach ◽

Reduced Density

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Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazene

The Journal of Chemical Physics ◽

10.1063/1.3675683 ◽

2012 ◽

Vol 136 (3) ◽

pp. 034112 ◽

Cited By ~ 28

Author(s):

Andrew M. Sand ◽

Christine A. Schwerdtfeger ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Reduced Density Matrix ◽

Strongly Correlated ◽

Matrix Methods ◽

Reduced Density

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Highly accurate excited-state energies from direct computation of the 2-electron reduced density matrix by the anti-Hermitian contracted Schrödinger equation

Molecular Physics ◽

10.1080/00268976.2015.1074739 ◽

2015 ◽

pp. 1-9 ◽

Cited By ~ 3

Author(s):

Erica J. Sturm ◽

David A. Mazziotti

Keyword(s):

Excited State ◽

Schrödinger Equation ◽

Density Matrix ◽

Schrodinger Equation ◽

Reduced Density Matrix ◽

Direct Computation ◽

Reduced Density

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