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

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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.

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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.
@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},
}