Multireference Approaches to Spin‐State Energetics of Transition Metal Complexes Utilizing the Density Matrix Renormalization Group

Michael Roemelt; Dimitrios A. Pantazis

doi:10.1002/adts.201800201

Multireference Approaches to Spin‐State Energetics of Transition Metal Complexes Utilizing the Density Matrix Renormalization Group

Advanced Theory and Simulations ◽

10.1002/adts.201800201 ◽

2019 ◽

Vol 2 (5) ◽

pp. 1800201 ◽

Cited By ~ 15

Author(s):

Michael Roemelt ◽

Dimitrios A. Pantazis

Keyword(s):

Renormalization Group ◽

Transition Metal ◽

Density Matrix ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Spin State ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization

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Density matrix renormalization group calculations on relative energies of transition metal complexes and clusters

The Journal of Chemical Physics ◽

10.1063/1.2805383 ◽

2008 ◽

Vol 128 (1) ◽

pp. 014104 ◽

Cited By ~ 136

Author(s):

Konrad H. Marti ◽

Irina Malkin Ondík ◽

Gerrit Moritz ◽

Markus Reiher

Keyword(s):

Renormalization Group ◽

Transition Metal ◽

Density Matrix ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization

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Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.6b00714 ◽

2016 ◽

Vol 12 (9) ◽

pp. 4352-4361 ◽

Cited By ~ 58

Author(s):

Quan Manh Phung ◽

Sebastian Wouters ◽

Kristine Pierloot

Keyword(s):

Perturbation Theory ◽

Renormalization Group ◽

Transition Metal ◽

Density Matrix ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Matrix Renormalization Group ◽

Benchmark Study ◽

Density Matrix Renormalization ◽

Second Order Perturbation Theory

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Applications of the Density Matrix Renormalization Group to Exchange-Coupled Transition Metal Systems

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_4 ◽

2019 ◽

pp. 91-120 ◽

Cited By ~ 1

Author(s):

Vera Krewald ◽

Dimitrios A. Pantazis

Keyword(s):

Renormalization Group ◽

Transition Metal ◽

Density Matrix ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization

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Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group

The Journal of Chemical Physics ◽

10.1063/1.2345196 ◽

2006 ◽

Vol 125 (14) ◽

pp. 144101 ◽

Cited By ~ 137

Author(s):

Johannes Hachmann ◽

Wim Cardoen ◽

Garnet Kin-Lic Chan

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization

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Ground-state properties of the symmetric single-impurity Anderson model on a ring from density-matrix renormalization group, Hartree-Fock, and Gutzwiller theory

Physical Review B ◽

10.1103/physrevb.99.165130 ◽

2019 ◽

Vol 99 (16) ◽

Cited By ~ 2

Author(s):

Gergely Barcza ◽

Florian Gebhard ◽

Thorben Linneweber ◽

Örs Legeza

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Anderson Model ◽

Ground State ◽

Density Matrix Renormalization Group ◽

Hartree Fock ◽

Density Matrix Renormalization ◽

Single Impurity ◽

Ground State Properties

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Spintronics Meets Density Matrix Renormalization Group: Quantum Spin-Torque-Driven Nonclassical Magnetization Reversal and Dynamical Buildup of Long-Range Entanglement

Physical Review X ◽

10.1103/physrevx.11.021062 ◽

2021 ◽

Vol 11 (2) ◽

Author(s):

Marko D. Petrović ◽

Priyanka Mondal ◽

Adrian E. Feiguin ◽

Petr Plecháč ◽

Branislav K. Nikolić

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Long Range ◽

Magnetization Reversal ◽

Quantum Spin ◽

Spin Torque ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization

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Density-matrix renormalization group study of the spin-Peierls instability in the antiferromagnetic Heisenberg ladder

The European Physical Journal B ◽

10.1140/epjb/e2012-30316-7 ◽

2012 ◽

Vol 85 (12) ◽

Cited By ~ 2

Author(s):

Y.J. Xu ◽

H. Zhao ◽

Y.G. Chen ◽

Y.H. Yan

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization ◽

Peierls Instability

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S. Vasudevan, H.N. Vasan and C.N.R. Rao, pes study of spin-state transitions in α6 transition metal complexes and oxides

Chemical Physics Letters ◽

10.1016/0009-2614(80)85319-x ◽

1980 ◽

Vol 71 (1) ◽

pp. 186

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Spin State ◽

State Transitions

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Density matrix renormalization group study of the correlation function of the bilinear-biquadratic spin-1 chain

Journal of Physics A General Physics ◽

10.1088/0305-4470/28/8/005 ◽

1995 ◽

Vol 28 (8) ◽

pp. 2109-2119 ◽

Cited By ~ 49

Author(s):

R J Bursill ◽

T Xiang ◽

G A Gehring

Keyword(s):

Correlation Function ◽

Renormalization Group ◽

Density Matrix ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization

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Density Matrix Renormalization Group Approach to an Asymptotically Free Model with Bound States

Physical Review Letters ◽

10.1103/physrevlett.83.1514 ◽

1999 ◽

Vol 83 (8) ◽

pp. 1514-1517 ◽

Cited By ~ 11

Author(s):

M. A. Martín-Delgado ◽

G. Sierra

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Bound States ◽

Density Matrix Renormalization Group ◽

Group Approach ◽

Density Matrix Renormalization ◽

Free Model ◽

Renormalization Group Approach

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