(Q51557065)

7 April 2018

title

Construction of CASCI-type wave functions for very large active spaces. (English)

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7 April 2018

author

Katharina Boguslawski

object named as

Katharina Boguslawski

series ordinal

1

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Markus Reiher

object named as

Markus Reiher

series ordinal

3

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author name string

Konrad H Marti

series ordinal

2

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7 April 2018

language of work or name

English

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publication date

1 June 2011

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7 April 2018

Journal of Chemical Physics

published in

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7 April 2018

volume

134

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7 April 2018

issue

22

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7 April 2018

page(s)

224101

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7 April 2018

Molecular Electronic-Structure Theory

cites work

1 reference

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21 January 2018

1 reference

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

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The density-matrix renormalization group

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

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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Electronic stabilization of nucleophilic carbenes

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A quadratically convergent MCSCF method for the simultaneous optimization of several states

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A second order multiconfiguration SCF procedure with optimum convergence

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An efficient second-order MC SCF method for long configuration expansions

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Density-functional approximation for the correlation energy of the inhomogeneous electron gas

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Density-functional exchange-energy approximation with correct asymptotic behavior

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Ground state fidelity from tensor network representations.

21 January 2018

1 reference

A Theoretical Challenge: Transition-Metal Compounds

21 January 2018

1 reference

An enquiry into theoretical bioinorganic chemistry: How heuristic is the character of present-day quantum chemical methods?

21 January 2018

1 reference

The Density Matrix Renormalization Group Algorithm in Quantum Chemistry

21 January 2018

1 reference

Complete-graph tensor network states: a new fermionic wave function ansatz for molecules

21 January 2018

1 reference

DMRG control using an automated Richardson-type error protocol

21 January 2018

1 reference

Chromophore-specific theoretical spectroscopy: From subsystem density functional theory to mode-specific vibrational spectroscopy

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3596482

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7 April 2018

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7 April 2018