UMI  
ProQuest® Dissertations & Theses
The world's most comprehensive collection of dissertations and theses. Learn more...
ProQuest  
 
 
Path integral simulations of semiconductor nanostructures and molecules
by Shin, Daejin, PhD, ARIZONA STATE UNIVERSITY, 2007, 0 pages; 3258167
 

Abstract: In many-body systems, there is a strong need to more accurately describe electronic structure. Quantum Monte Carlo (QMC) is a very promising approach to model properties of many-body quantum systems in both the ground state and finite temperature equilibrium. This thesis presents techniques for simulation of semiconductor nanostructures and molecules within Feynman's path integral formulation of statistical mechanics. At low temperatures and large particle numbers, fermionic simulations show an exponentially-growing inefficiency, called 'the fermion sign problem.' To overcome this difficulty we developed a fixed-phase approximation that uses density matrices. With the fixed-phase approximation, the difficulties created by phases in path integrals for magnetic systems are also managed in a practical way. The method is applied to several systems: parabolically-confined fermions in a magnetic field, a realistic three-dimensional model of an InGaAs/GaAs lens-shaped self-assembled dot, and free fermions in periodic boundary conditions. A continuous-space path integral method was also developed for spin 1/2 fermions using the density matrix based fixed-phase approximation. We also apply Path integral Monte Carlo with correlation function analysis to sample quantum mechanical properties of molecules at finite temperature. To accurately treat Coulomb interaction in the many-body systems, new technique for fast and accurate tabulation of the imaginary-time Coulomb Green's function was developed, which is important for quantum simulation of Coulomb systems.

 
Advisor: NULL
School: ARIZONA STATE UNIVERSITY
Source: DAI-B 68/04, p. 2413, Oct 2007
Source Type: PhD
Subjects: Condensation
Publication Number: 3258167
     
Adobe PDF Access the complete dissertation:
 

» Find an electronic copy at your library.
  Use the link below to access a full citation record of this graduate work:
  http://gateway.proquest.com/openurl%3furl_ver=Z39.88-2004%26res_dat=xri:pqdiss%26rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation%26rft_dat=xri:pqdiss:3258167
  If your library subscribes to the ProQuest Dissertations & Theses (PQDT) database, you may be entitled to a free electronic version of this graduate work. If not, you will have the option to purchase one, and access a 24 page preview for free (if available).

 
 
 

About ProQuest Dissertations & Theses
With over 2.3 million records, the ProQuest Dissertations & Theses (PQDT) database is the most comprehensive collection of dissertations and theses in the world. It is the database of record for graduate research.

The database includes citations of graduate works ranging from the first U.S. dissertation, accepted in 1861, to those accepted as recently as last semester. Of the 2.3 million graduate works included in the database, ProQuest offers more than 1.9 million in full text formats. Of those, over 860,000 are available in PDF format. More than 60,000 dissertations and theses are added to the database each year.

If you have questions, please feel free to visit the ProQuest Web site - http://www.il.proquest.com - or call ProQuest Hotline Customer Support at 1-800-521-3042.



Copyright © 2007 ProQuest. All rights reserved. Terms and Conditions

ProQuest