D-D (H-H) INTERACTIONS WITHIN THE INTERSTICES OF PD

被引：2

作者：

WHITE, CT ^{[1
]}

BRENNER, DW ^{[1
]}

MOWREY, RC ^{[1
]}

MINTMIRE, JW ^{[1
]}

SCHMIDT, PP ^{[1
]}

DUNLAP, BI ^{[1
]}

机构：

[1] OFF NAVAL RES, ARLINGTON, VA 22217 USA

来源：

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS | 1991年 / 30卷 / 01期

关键词：

PALLADIUM-DEUTERIDES; D2; CLUSTERS; EMBEDDED ATOM METHOD; DENSITY FUNCTIONAL CALCULATIONS; HARTREE-FOCK CALCULATIONS; NUCLEAR FUSION;

D O I：

10.1143/JJAP.30.182

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Embedded atom, local-density-functional, and Hartree-Fock methods are used to calculate the effective interaction between deuterium (or equivalently within the Born-Oppenheimer approximation hydrogen) nuclei within palladium. No effects were found to suggest that the repulsion between deuterons in gas phase D2 is reduced within the octahedral and tetrahedral interstices of this transition metal.

引用

页码：182 / 189

页数：8

共 73 条

[1]

ALEFELD G, 1978, TOPICS APPLIED PHYSI, V29

[2]

ALEFELD G, 1978, TOPICS APPLIED PHYSI, V28

[3]

[Anonymous], 1986, AB INITIO MOL ORBITA

[4]

[Anonymous], 1979, MOL SPECTRA MOL STRU