(Q51818034)

English

High-performance ab initio density matrix renormalization group method: applicability to large-scale multireference problems for metal compounds.

scientific article published in June 2009

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

High-performance ab initio density matrix renormalization group method: applicability to large-scale multireference problems for metal compounds. (English)

1 reference

Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

author name string

Yuki Kurashige

1

1 reference

Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

Takeshi Yanai

2

1 reference

Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

language of work or name

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publication date

1 June 2009

1 reference

Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

130

1 reference

Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

23

1 reference

Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

234114

1 reference

Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

Density-matrix algorithms for quantum renormalization groups.

1 reference

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Decomposition of density matrix renormalization group states into a Slater determinant basis.

1 reference

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On the spin and symmetry adaptation of the density matrix renormalization group method.

1 reference

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Obtaining the two-body density matrix in the density matrix renormalization group method.

1 reference

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Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene.

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21 January 2018

The density-matrix renormalization group

1 reference

https://api.crossref.org/works/10.1063%2F1.3152576

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The radical character of the acenes: a density matrix renormalization group study

1 reference

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21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.3152576

21 January 2018

An algorithm for large scale density matrix renormalization group calculations.

1 reference

https://api.crossref.org/works/10.1063%2F1.3152576

21 January 2018

Density matrix renormalisation group Lagrangians.

1 reference

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21 January 2018

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

1 reference

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Targeted excited state algorithms.

1 reference

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The self‐consistent electron pairs method for multiconfiguration reference state functions

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An efficient internally contracted multiconfiguration–reference configuration interaction method

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An efficient method for the evaluation of coupling coefficients in configuration interaction calculations

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Configuration interaction calculations on the nitrogen molecule

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Canonical transformation theory from extended normal ordering.

1 reference

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Intruder state avoidance multireference Møller-Plesset perturbation theory.

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Multicopper Oxidases and Oxygenases

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New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states.

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Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian

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Theoretical Study of the Interconversion of O2-Binding Dicopper Complexes

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21 January 2018

Theoretical Models on the Cu2O2Torture Track: Mechanistic Implications for Oxytyrosinase and Small-Molecule Analogues

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21 January 2018

The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO2 and Cu2O2 systems

1 reference

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21 January 2018

The CIPT2 method: Coupling of multi-reference configuration interaction and multi-reference perturbation theory. Application to the chromium dimer

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21 January 2018

Identifiers

10.1063/1.3152576

1 reference

Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

13 April 2018

http://europepmc.org/abstract/MED/19548718

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