Modern Ab-Initio Calculations on Modified Tomas-Fermi-Dirac Theory

作     者：Sergey Seriy 

作者机构：Lenina 23-25 Komsomolsk-on-Amur City Russia 

出 版 物：《Open Journal of Modelling and Simulation》 (建模与仿真（英文）)

年 卷 期：2015年第3卷第3期

页      面：96-103页

学科分类：07[理学] 0701[理学-数学] 070101[理学-基础数学] 

主　　题：Quantum Mechanics Ab-Initio Calculations Thomas-Fermi Theory Material Science 

摘      要：Thomas-Fermi theory is an approximate method, which is widely used to describe the properties of matter at various hierarchical levels (atomic nucleus, atom, molecule, solid, etc.). Special development is achieved using Thomas-Fermi theory to the theory of extreme states of matter appearing under high pressures, high temperatures or strong external fields. Relevant sections of physics and related sciences (astrophysics, quantum chemistry, a number of applied sciences) determine the scope of Thomas-Fermi theory. Popularity Thomas-Fermi theory is related to its relative simplicity, clarity and versatility. The latter means that the result of the calculation by Thomas-Fermi theory applies immediately to all chemical elements: the transition from element to element is as simple scale transformation. These features make it to be a highly convenient tool for qualitative and, in many cases, and quantitative analysis.