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Quantum Monte Carlo methods for ferm...

Dikovsky, Mikhail.

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Quantum Monte Carlo methods for fermionic systems in chemical physics.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Quantum Monte Carlo methods for fermionic systems in chemical physics./
Author:	Dikovsky, Mikhail.
Description:	121 p.
Notes:	Source: Dissertation Abstracts International, Volume: 65-05, Section: B, page: 2428.
Contained By:	Dissertation Abstracts International65-05B.
Subject:	Chemistry, Physical. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3133260
ISBN:	0496805002

Quantum Monte Carlo methods for fermionic systems in chemical physics.
Dikovsky, Mikhail.

Quantum Monte Carlo methods for fermionic systems in chemical physics. - 121 p.

Source: Dissertation Abstracts International, Volume: 65-05, Section: B, page: 2428.

Thesis (Ph.D.)--University of Southern California, 2003.

This dissertation discusses several most popular Quantum Monte Carlo Methods applied to calculation of static and thermodynamic properties of systems of multiple fermions. Monte Carlo methods in general are compared with the deterministic computational methods in terms of availability, accuracy, scaling and convenience. It is concluded that Monte Carlo methods are able to provide valuable results by themselves and in conjunction with the deterministic methods. The attention is then focused on Monte Carlo methods alone. First, the essential theory of Monte Carlo approach is summarized and various practical aspects are talked over. Then, the Variational Monte Carlo, the Diffusion Monte Carlo, the Green's Function Monte Carlo and the Path Integral Monte Carlo Methods are reviewed. Model systems, such as a system of a few interacting fermions in a parabolic potential, hydrogen and lithium atoms are studied with the abovementioned Monte Carlo methods. The fermionic sign problem arising in such calculations is examined in detail. The Multi-Level Blocking (MLB) solution to the fermionic sign problem is then re-formulated and analyzed. Based on the experience gained with the established Quantum Monte Carlo methods, a new variation of the Path Integral Monte Carlo Method for the systems of multiple fermions is proposed. The new method borrows the main idea from the MLB approach and has the same ability to overpower the sign problem. It can benefit from external hints whenever such hints are available and also features reduced systematic errors and overall better accuracy control.

ISBN: 0496805002Subjects--Topical Terms:

560527
Chemistry, Physical.

Quantum Monte Carlo methods for fermionic systems in chemical physics.
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100 1 $a Dikovsky, Mikhail. $3 1935486
245 1 0 $a Quantum Monte Carlo methods for fermionic systems in chemical physics.
300 $a 121 p.
500 $a Source: Dissertation Abstracts International, Volume: 65-05, Section: B, page: 2428.
500 $a Adviser: Chi Ho Mak.
502 $a Thesis (Ph.D.)--University of Southern California, 2003.
520 $a This dissertation discusses several most popular Quantum Monte Carlo Methods applied to calculation of static and thermodynamic properties of systems of multiple fermions. Monte Carlo methods in general are compared with the deterministic computational methods in terms of availability, accuracy, scaling and convenience. It is concluded that Monte Carlo methods are able to provide valuable results by themselves and in conjunction with the deterministic methods. The attention is then focused on Monte Carlo methods alone. First, the essential theory of Monte Carlo approach is summarized and various practical aspects are talked over. Then, the Variational Monte Carlo, the Diffusion Monte Carlo, the Green's Function Monte Carlo and the Path Integral Monte Carlo Methods are reviewed. Model systems, such as a system of a few interacting fermions in a parabolic potential, hydrogen and lithium atoms are studied with the abovementioned Monte Carlo methods. The fermionic sign problem arising in such calculations is examined in detail. The Multi-Level Blocking (MLB) solution to the fermionic sign problem is then re-formulated and analyzed. Based on the experience gained with the established Quantum Monte Carlo methods, a new variation of the Path Integral Monte Carlo Method for the systems of multiple fermions is proposed. The new method borrows the main idea from the MLB approach and has the same ability to overpower the sign problem. It can benefit from external hints whenever such hints are available and also features reduced systematic errors and overall better accuracy control.
590 $a School code: 0208.
650 4 $a Chemistry, Physical. $3 560527
690 $a 0494
710 2 0 $a University of Southern California. $3 700129
773 0 $t Dissertation Abstracts International $g 65-05B.
790 1 0 $a Mak, Chi Ho, $e advisor
790 $a 0208
791 $a Ph.D.
792 $a 2003
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3133260