VIRIAL-THEOREM IN THE DENSITY-FUNCTIONAL FORMALISM - FORCES IN H-2

被引：48

作者：

AVERILL, FW ^{[1
]}

PAINTER, GS ^{[1
]}

机构：

[1] OAK RIDGE NATL LAB,DIV MET & CERAM,OAK RIDGE,TN 37830

来源：

PHYSICAL REVIEW B | 1981年 / 24卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.24.6795

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

收藏

页码：6795 / 6800

页数：6

相关论文

共 18 条

[1] EFFICIENT NUMERICAL MULTICENTER BASIS SET FOR MOLECULAR-ORBITAL CALCULATIONS - APPLICATION TO FECL4
AVERILL, FW
ELLIS, DE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) : 6412 - 6418
[2] EVEN-TEMPERED ATOMIC ORBITALS .3. ECONOMIC DEPLOYMENT OF GAUSSIAN PRIMITIVES IN EXPANDING ATOMIC SCF ORBITALS
BARDO, RD
RUEDENBERG, K
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) : 5956 - 5965
[3] CLEMENTI E, 1971, IBM RJ883 RES REP
[4] 1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS
DUNLAP, BI
CONNOLLY, JWD
SABIN, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) : 4993 - 4999
[5] EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM
GUNNARSSON, O
LUNDQVIST, BI
[J]. PHYSICAL REVIEW B, 1976, 13 (10) : 4274 - 4298
[6] MUFFIN-TIN ORBITALS AND TOTAL ENERGY OF ATOMIC CLUSTERS
GUNNARSSON, O
HARRIS, J
JONES, RO
[J]. PHYSICAL REVIEW B, 1977, 15 (06): : 3027 - 3038
[7] HARRIS JD, UNPUB
[8] DENSITY FUNCTIONAL THEORY OF INTERACTING CLOSED SHELL SYSTEMS .2. DETERMINATION OF CHARGE-DENSITIES AND HELLMAN-FEYNMAN THEOREM
HARRIS, RA
HELLER, DF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (09) : 3601 - 3604
[9] Hirschfelder J. O., 1967, ADV CHEM PHYS, V12, P3
[10] INHOMOGENEOUS ELECTRON-GAS
RAJAGOPAL, AK
CALLAWAY, J
[J]. PHYSICAL REVIEW B, 1973, 7 (05) : 1912 - 1919