ABINITIO HARTREE-FOCK STUDY OF THE MGO(001) SURFACE

被引：177

作者：

CAUSA, M

DOVESI, R

PISANI, C

ROETTI, C

机构：

来源：

SURFACE SCIENCE | 1986年 / 175卷 / 03期

关键词：

D O I：

10.1016/0039-6028(86)90012-9

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

收藏

页码：551 / 560

页数：10

相关论文

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[1] ELECTRONIC-STRUCTURE AND STABILITY OF DIFFERENT CRYSTAL PHASES OF MAGNESIUM-OXIDE
CAUSA, M
DOVESI, R
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[2] CAUSA M, ACTA CRYST B
[3] THE SEGREGATION OF CALCIUM-IONS AT THE SURFACE OF MAGNESIUM-OXIDE - THEORY AND CALCULATION
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[J]. JOURNAL OF MATERIALS SCIENCE, 1983, 18 (07) : 1917 - 1924
[4] THEORETICAL ASPECTS OF H-2 AND CO CHEMISORPTION ON MGO SURFACES
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[J]. SURFACE SCIENCE, 1982, 117 (1-3) : 571 - 580
[5] A THEORETICAL-STUDY OF CO CHEMISORPTION AT (001) SURFACES OF NON-DEFECTIVE AND DOPED MGO
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MACKRODT, WC
[J]. SURFACE SCIENCE, 1984, 143 (2-3) : 391 - 410
[6] ABINITIO HARTREE-FOCK EXTENDED BASIS SET CALCULATION OF THE ELECTRONIC-STRUCTURE OF CRYSTALLINE LITHIUM-OXIDE
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[J]. SOLID STATE COMMUNICATIONS, 1985, 54 (02) : 183 - 185
[7] TREATMENT OF COULOMB INTERACTIONS IN HARTREE-FOCK CALCULATIONS OF PERIODIC-SYSTEMS
DOVESI, R
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[J]. PHYSICAL REVIEW B, 1983, 28 (10): : 5781 - 5792
[8] HARTREE-FOCK STUDY OF LITHIUM HYDRIDE WITH THE USE OF A POLARIZABLE BASIS SET
DOVESI, R
ERMONDI, C
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[J]. PHYSICAL REVIEW B, 1984, 29 (06): : 3591 - 3600
[9] HARTREE-FOCK STUDY OF CRYSTALLINE LITHIUM NITRIDE
DOVESI, R
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RICCA, F
ROETTI, C
SAUNDERS, VR
[J]. PHYSICAL REVIEW B, 1984, 30 (02): : 972 - 979
[10] LEED ANALYSIS OF THE COO(100) SURFACE
FELTON, RC
PRUTTON, M
TEAR, SP
WELTONCOOK, MR
[J]. SURFACE SCIENCE, 1979, 88 (2-3) : 474 - 478