SELF-INTERACTION CORRECTION - THE TRANSITION-METAL ATOMS

被引：7

作者：

CORTONA, P

机构：

来源：

PHYSICAL REVIEW A | 1988年 / 38卷 / 08期

关键词：

D O I：

10.1103/PhysRevA.38.3850

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：3850 / 3856

页数：7

共 50 条

[31] Testing Self-Interaction Correction for Molecules in Solution [J].

Kraus, Jakob ;

Schwalbe, Sebastian ;

Trepte, Kai ;

Kortus, Jens .

ADVANCED ENGINEERING MATERIALS, 2022, 24 (02)

[32] Self-interaction-free electric dipole polarizabilities for atoms and their ions using the Fermi-Lowdin self-interaction correction [J].

Withanage, Kushantha P. K. ;

Akter, Sharmin ;

Shahi, Chandra ;

Joshi, Rajendra P. ;

Diaz, Carlos ;

Yamamoto, Yoh ;

Zope, Rajendra ;

Baruah, Tunna ;

Perdew, John P. ;

Peralta, Juan E. ;

Jackson, Koblar A. .

PHYSICAL REVIEW A, 2019, 100 (01)

[33] Hyperfine interactions for small systems including transition-metal elements using self-interaction corrected density-functional theory [J].

Karanovich, Anri ;

Jackson, Koblar Alan ;

Park, Kyungwha .

JOURNAL OF CHEMICAL PHYSICS, 2024, 161 (01)

[34] Self-interaction correction and the optimized effective potential [J].

Koerzdoerfer, T. ;

Kuemmel, S. ;

Mundt, M. .

JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (01)

[35] Constrained Local Potentials for Self-Interaction Correction [J].

Gidopoulos, Nikitas ;

Lathiotakis, Nektarios N. N. .

ADVANCES IN ATOMIC, MOLECULAR, AND OPTICAL PHYSICS, VOL 64, 2015, 64 :129-142

[36] SELF-INTERACTION CORRECTION IN THE LOCAL DENSITY APPROXIMATION [J].

BOBEL, G ;

CORTONA, P .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1983, 16 (03) :349-357

[37] TRANSITION-METAL COMPOUNDS CONTAINING CLUSTERS OF METAL ATOMS [J].

COTTON, FA .

QUARTERLY REVIEWS, 1966, 20 (03) :389-&

[38] METAL-METAL BONDING IN CLUSTERS IN TRANSITION-METAL ATOMS [J].

OPITZ, C ;

MULLER, H .

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG, 1986, 267 (04) :731-736

[39] Fractional occupation numbers and self-interaction correction-scaling methods with the Fermi-Lowdin orbital self-interaction correction approach [J].

Aquino, Fredy W. ;

Shinde, Ravindra ;

Wong, Bryan M. .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 41 (12) :1200-1208

[40] Calculation of the activation energy for surface self-diffusion of transition-metal atoms [J].

S. Yu. Davydov .

Physics of the Solid State, 1999, 41 :8-10

← 1 2 3 4 5 →