Application of the Colle–Salvetti model to the uniform electron gas

被引:0
作者
Federico Moscardó
机构
[1] Universidad de Alicante,Departamento de Qímica Física
来源
Theoretical Chemistry Accounts | 2007年 / 118卷
关键词
Correlation Energy; Helium Atom; Pair Distribution Function; Theor Chem Account; Correlation Component;
D O I
暂无
中图分类号
学科分类号
摘要
An application of the Colle–Salvetti wave function (Colle and Salvetti in Theor Chim Acta 37: 329, 1975) to the uniform electron gas model is made. Some different levels of approximation are used. Contrarily to the previous conclusions of other work (Tao et al. in Phys Rev A 63: 032513, 2001), the present result shows that the Colle–Salvetti wave function is able to reproduce, to a semiquantitative level, the properties of the uniform electron gas. The most important request for this result is an apropiate choice for the value of the only parameter entering in the Colle–Salvetti wave function. The present results are a good complement to those obtained by Moscardó et al. (Theor Chem Accounts 115: 334, 2006) for atoms. On the basis of the results obtained in this paper, a very simple functional for the correlation energy is put forward. Its application to the uniform electron gas, lead to a very reasonable set of results. It can be concluded that the Colle–Salvetti wave function remains being a good option to built, in an approximate way, the correlation component of a N-electron system.
引用
收藏
页码:631 / 635
页数:4
相关论文
共 23 条
[1]  
Colle R(1975)undefined Theor Chim Acta 37 329-undefined
[2]  
Salvetti O(1999)undefined Phys Rev A 60 4135-undefined
[3]  
Sing R(2000)undefined Mol Phys 98 1811-undefined
[4]  
Massa L(2001)undefined Phys Rev A 63 032513-undefined
[5]  
Shani V(1986)undefined Int J Quantum Chem 30 853-undefined
[6]  
Caratzoulas S(1998)undefined Int J Quantum Chem 67 143-undefined
[7]  
Knowles PJ(2006)undefined Theor Chem Accounts 115 334-undefined
[8]  
Tao J(1955)undefined Phys Rev 98 1479-undefined
[9]  
Gori-Gorgi P(1994)undefined Int J Quantum Chem 49 291-undefined
[10]  
Perdew JP(1938)undefined Trans Faraday Soc 34 678-undefined