skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on October 18, 2019

Title: Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions

Authors:
ORCiD logo [1] ; ORCiD logo [1] ;  [1] ; ORCiD logo [2]
  1. Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA
  2. Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA, Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824, USA
Publication Date:
Grant/Contract Number:
FG02-01ER15228
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 149 Journal Issue: 15; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1478133

Deustua, J. Emiliano, Magoulas, Ilias, Shen, Jun, and Piecuch, Piotr. Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions. United States: N. p., Web. doi:10.1063/1.5055769.
Deustua, J. Emiliano, Magoulas, Ilias, Shen, Jun, & Piecuch, Piotr. Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions. United States. doi:10.1063/1.5055769.
Deustua, J. Emiliano, Magoulas, Ilias, Shen, Jun, and Piecuch, Piotr. 2018. "Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions". United States. doi:10.1063/1.5055769.
@article{osti_1478133,
title = {Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions},
author = {Deustua, J. Emiliano and Magoulas, Ilias and Shen, Jun and Piecuch, Piotr},
abstractNote = {},
doi = {10.1063/1.5055769},
journal = {Journal of Chemical Physics},
number = 15,
volume = 149,
place = {United States},
year = {2018},
month = {10}
}

Works referenced in this record:

General atomic and molecular electronic structure system
journal, November 1993
  • Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.
  • Journal of Computational Chemistry, Vol. 14, Issue 11, p. 1347-1363
  • DOI: 10.1002/jcc.540141112