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Title: Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory

Authors:
 [1];  [1];  [1]
  1. Department of Chemistry, University of California, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1228481
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 142 Journal Issue: 2; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Small, David W., Sundstrom, Eric J., and Head-Gordon, Martin. Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory. United States: N. p., 2015. Web. doi:10.1063/1.4905120.
Small, David W., Sundstrom, Eric J., & Head-Gordon, Martin. Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory. United States. doi:10.1063/1.4905120.
Small, David W., Sundstrom, Eric J., and Head-Gordon, Martin. Fri . "Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory". United States. doi:10.1063/1.4905120.
@article{osti_1228481,
title = {Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory},
author = {Small, David W. and Sundstrom, Eric J. and Head-Gordon, Martin},
abstractNote = {},
doi = {10.1063/1.4905120},
journal = {The Journal of Chemical Physics},
number = 2,
volume = 142,
place = {United States},
year = {Fri Jan 09 00:00:00 EST 2015},
month = {Fri Jan 09 00:00:00 EST 2015}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1063/1.4905120

Citation Metrics:
Cited by: 6 works
Citation information provided by
Web of Science

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Works referenced in this record:

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journal, April 1993

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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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General atomic and molecular electronic structure system
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  • Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.
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