The Reduced Density Matrix Method for Electronic Structure Calculations -Application of Semidefinite Programming to N-fermion Systems

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" The Reduced Density Matrix Method for Electronic Structure Calculations -Application of Semidefinite Programming to N-fermion Systems "

Document Type	:	Latin Dissertation
Language of Document	:	English
Record Number	:	150499
Doc. No	:	ET22291
Main Entry	:	Zhengji Zhao
Title Proper	:	The Reduced Density Matrix Method for Electronic Structure Calculations -Application of Semidefinite Programming to N-fermion Systems
Note	:	This document is digital این مدرک بصورت الکترونیکی می باشد
Abstract	:	We study the reduced density matrix method, a variational approach for elec-tronic structure calculations based on the two-body reduced density matrix. Thismethod minimizes the ground state energy with respect to the two-body reduceddensity matrix subject to some conditions which it must satisfy, known as N-representability conditions. The resulting optimization problem is a semidefiniteprogram, a convex optimization problem for which computational methods have-...,..tested for theQ1 PC1 bus cardBoth these projects mere sofixare des elopment efforts tonards contributing to dlfferentaspects of Roboucs and lZ1echatronics projects m the Controls and Roboucs Group..
Subject	:	Electericl tess
	:	برق
electronic file name	:	TL45497.pdf
Title and statement of responsibility and	:	The Reduced Density Matrix Method for Electronic Structure Calculations -Application of Semidefinite Programming to N-fermion Systems [Thesis]