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Title: Communication: Active space decomposition with multiple sites: Density matrix renormalization group algorithm

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4902991· OSTI ID:1226577

Sponsoring Organization:
USDOE
Grant/Contract Number:
FG02-13ER16398
OSTI ID:
1226577
Alternate ID(s):
OSTI ID: 1420502
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Vol. 141 Journal Issue: 21; ISSN 0021-9606
Publisher:
American Institute of PhysicsCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 31 works
Citation information provided by
Web of Science

References (26)

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Turbomole
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journal July 2013
On the spin and symmetry adaptation of the density matrix renormalization group method journal January 2008
The orbital-specific-virtual local coupled cluster singles and doubles method journal April 2012
Singlet Fission journal November 2010
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density journal January 1988
Charge Transport in Organic Semiconductors journal April 2007
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry journal April 2010
Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II journal June 2013
The density matrix renormalization group self-consistent field method: Orbital optimization with the density matrix renormalization group method in the active space journal April 2008
Density-matrix algorithms for quantum renormalization groups journal October 1993
Structural study of vapour phase deposited 3,4,9,10-perylene tetracarboxylicacid diimide: Comparison between single crystal and ultra thin films grown on Pt(100) journal August 2006
Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces journal August 1988
Ab initio quantum chemistry using the density matrix renormalization group journal March 1999
Convergence behavior of the density-matrix renormalization group algorithm for optimized orbital orderings journal January 2005
A fast intrinsic localization procedure applicable for a b i n i t i o and semiempirical linear combination of atomic orbital wave functions journal May 1989
Density matrix formulation for quantum renormalization groups journal November 1992
The density matrix renormalization group for ab initio quantum chemistry journal September 2014
Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics journal August 2014
Measuring orbital interaction using quantum information theory journal April 2006
The Density Matrix Renormalization Group in Quantum Chemistry journal May 2011
Model Hamiltonian Analysis of Singlet Fission from First Principles journal June 2014
High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds journal June 2009
Communication: Active-space decomposition for molecular dimers journal July 2013
Quasi-diabatic States from Active Space Decomposition journal July 2014

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