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Title: Efficient and stable orbital-searching algorithm for the configuration interaction method and its application to quantum impurity problems

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
DESC0008877
OSTI ID:
1180330
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Vol. 90 Journal Issue: 23; ISSN 1098-0121
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

References (36)

Efficient variational approach to the impurity problem and its application to the dynamical mean-field theory journal July 2013
Electron Correlation in Oxygen Vacancy in SrTiO 3 journal November 2013
Electron spectroscopies for Ce compounds in the impurity model journal October 1983
Molecular Electronic-Structure Theory book August 2000
Time-dependent complete-active-space self-consistent-field method for multielectron dynamics in intense laser fields journal August 2013
Quantum confinement in perovskite oxide heterostructures: Tight binding instead of a nearly free electron picture journal September 2013
Novel J eff = 1 / 2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr 2 IrO 4 journal August 2008
The renormalization group: Critical phenomena and the Kondo problem journal October 1975
Metal-insulator transitions journal October 1998
Mode damping in multiconfigurational Hartree–Fock procedures journal September 1980
Quantum cluster theories journal October 2005
Strongly Correlated Materials: Insights From Dynamical Mean-Field Theory journal March 2004
Metal-insulator phase diagram and orbital selectivity in three-orbital models with rotationally invariant Hund coupling journal March 2009
Fermi-liquid instabilities at magnetic quantum phase transitions journal August 2007
Time-dependent multiconfiguration theory for electronic dynamics of molecules in an intense laser field journal July 2004
Correlated electrons in high-temperature superconductors journal July 1994
Continuous-time Monte Carlo methods for quantum impurity models journal May 2011
A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states journal June 2011
The Kondo Problem to Heavy Fermions book January 1993
An efficient internally contracted multiconfiguration–reference configuration interaction method journal November 1988
Optimization of orbitals for multiconfigurational reference states journal October 1978
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions journal January 1996
Relation between the Anderson and Kondo Hamiltonians journal September 1966
Electric field tuning of spin-orbit coupling in KTaO 3 field-effect transistors journal September 2009
Electronic structure calculations with dynamical mean-field theory journal August 2006
The multiconfiguration time-dependent Hartree–Fock method for quantum chemical calculations journal March 2005
A second order multiconfiguration SCF procedure with optimum convergence journal June 1985
Two-dimensional ferromagnetism of 3d, 4d, and 5dtransition metal monolayers on noble metal (001) substrates journal February 1992
Truncated configuration interaction expansions as solvers for correlated quantum impurity models and dynamical mean-field theory journal October 2012
The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices journal January 1975
Theory of spin-orbit coupling at LaAlO 3 /SrTiO 3 interfaces and SrTiO 3 surfaces journal April 2013
Cubic contributions in multiconfigurational self-consistent-field (MCSCF) calculations journal July 1982
Theory of the SrTiO 3 surface state two-dimensional electron gas journal September 2012
Benchmark calculations with correlated molecular wave functions. I. Multireference configuration interaction calculations for the second row diatomic hydrides journal August 1993
Quantum Spin Hall Effect in a Transition Metal Oxide Na 2 IrO 3 journal June 2009
Dynamical mean-field theory from a quantum chemical perspective journal March 2011

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