Accession Number:

AD1069014

Title:

Quantum Monte Carlo Simulations

Descriptive Note:

Technical Report,01 Oct 2009,30 Sep 2016

Corporate Author:

North Carolina State University Raleigh United States

Personal Author(s):

• Reynolds,Peter J.

Report Date:

2016-12-31

Pagination or Media Count:

8.0

Abstract:

Major Goals QMC calculations of molecular systems. The emphasis has been on several important and related research questions calculations of properties beyond energies such as dipole moments calculations of excited states accuracy of pseudopotentials impact of many-body effects and interactions beyond repulsive terms, bonding and electronic density on accuracy of fermion nodal surfaces and number of related topics that have to do with technical points of such calculations. We studied behavior of ultracold atomic Fermi gases. In particular, we carried out high accuracy quantum Monte Carlo calculations for spin unpolarized unitary limit systems using the Bardeen-Cooper-Schrieffer BCS pairing wavefunctions and extrapolations of the interaction potential to zero range ie, the true unitary limit.

Descriptors:

• MONTE CARLO METHOD
• WAVE FUNCTIONS
• azobenzenes
• dipole moments
• spin orbit interaction

Subject Categories:

• Statistics and Probability
• Quantum Theory and Relativity
• Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE