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Title: Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms

Authors:
ORCiD logo [1]; ORCiD logo [1];  [1];  [2];  [2];  [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [1]
  1. William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, USA
  2. Quantum Architectures and Computation Group, Microsoft Research, Redmond, Washington 98052, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1530913
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 151 Journal Issue: 1; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Bauman, Nicholas P., Bylaska, Eric J., Krishnamoorthy, Sriram, Low, Guang Hao, Wiebe, Nathan, Granade, Christopher E., Roetteler, Martin, Troyer, Matthias, and Kowalski, Karol. Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms. United States: N. p., 2019. Web. doi:10.1063/1.5094643.
Bauman, Nicholas P., Bylaska, Eric J., Krishnamoorthy, Sriram, Low, Guang Hao, Wiebe, Nathan, Granade, Christopher E., Roetteler, Martin, Troyer, Matthias, & Kowalski, Karol. Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms. United States. doi:10.1063/1.5094643.
Bauman, Nicholas P., Bylaska, Eric J., Krishnamoorthy, Sriram, Low, Guang Hao, Wiebe, Nathan, Granade, Christopher E., Roetteler, Martin, Troyer, Matthias, and Kowalski, Karol. Sun . "Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms". United States. doi:10.1063/1.5094643.
@article{osti_1530913,
title = {Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms},
author = {Bauman, Nicholas P. and Bylaska, Eric J. and Krishnamoorthy, Sriram and Low, Guang Hao and Wiebe, Nathan and Granade, Christopher E. and Roetteler, Martin and Troyer, Matthias and Kowalski, Karol},
abstractNote = {},
doi = {10.1063/1.5094643},
journal = {Journal of Chemical Physics},
number = 1,
volume = 151,
place = {United States},
year = {2019},
month = {7}
}

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Works referenced in this record:

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
journal, September 2010

  • Valiev, M.; Bylaska, E. J.; Govind, N.
  • Computer Physics Communications, Vol. 181, Issue 9, p. 1477-1489
  • DOI: 10.1016/j.cpc.2010.04.018