Modeling the Pauli potential in the pair density functional theory (vol 129, 204108, 2008)

被引：0

作者：

Amovilli, C. ^{[1
]}

Nagy, A. ^{[2
]}

机构：

[1] Univ Pisa, Dipartimento Chim & Chim Ind, I-56126 Pisa, Italy

[2] Univ Debrecen, Dept Theoret Phys, H-4010 Debrecen, Hungary

来源：

JOURNAL OF CHEMICAL PHYSICS | 2010年 / 132卷 / 10期

关键词：

chemical shift; density functional theory; hydrogen bonds; molecular electronic states; nuclear magnetic resonance; positive ions; relativistic corrections; uranium compounds;

D O I：

10.1063/1.3342063

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页数：2

共 3 条

[1] Modeling the Pauli potential in the pair density functional theory [J].

Amovilli, C. ;

Nagy, A. .

JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (20)

[2] One- and two-body densities for the beryllium isoelectronic series [J].

Gálvez, FJ ;

Buendía, E ;

Sarsa, A .

JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (24) :10903-10909

[3] EXPLICITLY CORRELATED GAUSSIAN FUNCTIONS IN VARIATIONAL CALCULATIONS - THE GROUND-STATE OF THE BERYLLIUM ATOM [J].

KOMASA, J ;

CENCEK, W ;

RYCHLEWSKI, J .

PHYSICAL REVIEW A, 1995, 52 (06) :4500-4507

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