Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group. - Wikidata - awgldk - TriplyDB

Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group.

Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group.

http://www.wikidata.org/entity/Q37646323

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Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach.Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes.Dinuclear Iron(II) Spin-Crossover Compounds: A Theoretical Study.Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis.Transuranic Computational Chemistry.Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory.Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges.

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Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group.

http://www.wikidata.org/entity/Q37646323

description

article científic

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article scientifique

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articolo scientifico

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artigo científico

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bilimsel makale

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scientific article published on 17 January 2017

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vedecký článok

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vetenskaplig artikel

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videnskabelig artikel

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vědecký článek

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name

Multireference Perturbation Th ...... Matrix Renormalization Group.

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Multireference Perturbation Th ...... Matrix Renormalization Group.

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type

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Multireference Perturbation Th ...... Matrix Renormalization Group.

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Multireference Perturbation Th ...... Matrix Renormalization Group.

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Multireference Perturbation Th ...... Matrix Renormalization Group.

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Multireference Perturbation Th ...... Matrix Renormalization Group.

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ACS.JCTC.6B00778

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Journal of Chemical Theory and Computation

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Multireference Perturbation Th ...... Matrix Renormalization Group.

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Celestino Angeli

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P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Molcas8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

Accurate ab Initio Spin Densities

Density functional theory for transition metals and transition metal chemistry.

New electron correlation theories for transition metal chemistry.

Multiconfiguration self-consistent field and multireference configuration interaction methods and applications.

SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory.

New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation.

Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms.

A time-dependent formulation of multi-reference perturbation theory.

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451-459

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scholarly article

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10.1021/ACS.JCTC.6B00778

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2

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2017-01-17T00:00:00Z

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28094988

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1608.02006

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5312874

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