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Nonstandard N-representability constraints and their application to chemical and physical systems

Dimitri Van Neck UGent, Brecht Verstichel UGent, Helen van Aggelen UGent, Patrick Bultinck UGent and Paul W Ayers (2011) ACS National meeting, 242nd, Abstracts.
abstract
The accuracy of variationally determined two-body density matrices depends crucially on the N-representability conditions that are imposed. We will discuss some nonstandard types of constraints that can be added to the 2-index constraints to obtain accuracies that are, in some cases, comparable to that obtained by including the computationally much more expensive 3-index conditions. The constraints are illustrated by applications to molecules and to the Hubbard hamiltonian in one and two dimensions.
Please use this url to cite or link to this publication:
author
organization
year
type
conference
publication status
published
subject
in
ACS National meeting, 242nd, Abstracts
publisher
American Chemical Society (ACS)
conference name
242nd ACS national meeting fall
conference location
Denver, CO, USA
conference start
2011-08-28
conference end
2011-09-01
language
English
UGent publication?
yes
classification
C3
copyright statement
I have transferred the copyright for this publication to the publisher
id
2003374
handle
http://hdl.handle.net/1854/LU-2003374
alternative location
http://abstracts.acs.org/chem/242nm/program/view.php
date created
2012-01-25 16:30:03
date last changed
2012-02-29 11:09:16
@inproceedings{2003374,
  abstract     = {The accuracy of variationally determined two-body density matrices depends crucially on the N-representability conditions that are imposed. We will discuss some nonstandard types of constraints that can be added to the 2-index constraints to obtain accuracies that are, in some cases, comparable to that obtained by including the computationally much more expensive 3-index conditions. The constraints are illustrated by applications to molecules and to the 
Hubbard hamiltonian in one and two dimensions.},
  author       = {Van Neck, Dimitri and Verstichel, Brecht and van Aggelen, Helen and Bultinck, Patrick and Ayers, Paul W},
  booktitle    = {ACS National meeting, 242nd, Abstracts},
  language     = {eng},
  location     = {Denver, CO, USA},
  publisher    = {American Chemical Society (ACS)},
  title        = {Nonstandard N-representability constraints and their application to chemical and physical systems},
  url          = {http://abstracts.acs.org/chem/242nm/program/view.php},
  year         = {2011},
}

Chicago
Van Neck, Dimitri, Brecht Verstichel, Helen van Aggelen, Patrick Bultinck, and Paul W Ayers. 2011. “Nonstandard N-representability Constraints and Their Application to Chemical and Physical Systems.” In ACS National Meeting, 242nd, Abstracts. American Chemical Society (ACS).
APA
Van Neck, D., Verstichel, B., van Aggelen, H., Bultinck, P., & Ayers, P. W. (2011). Nonstandard N-representability constraints and their application to chemical and physical systems. ACS National meeting, 242nd, Abstracts. Presented at the 242nd ACS national meeting fall, American Chemical Society (ACS).
Vancouver
1.
Van Neck D, Verstichel B, van Aggelen H, Bultinck P, Ayers PW. Nonstandard N-representability constraints and their application to chemical and physical systems. ACS National meeting, 242nd, Abstracts. American Chemical Society (ACS); 2011.
MLA
Van Neck, Dimitri, Brecht Verstichel, Helen van Aggelen, et al. “Nonstandard N-representability Constraints and Their Application to Chemical and Physical Systems.” ACS National Meeting, 242nd, Abstracts. American Chemical Society (ACS), 2011. Print.