PSEUDOPOTENTIAL SPIN-DENSITY-FUNCTIONAL CALCULATION OF THE ELECTRONIC-PROPERTIES OF SMALL LITHIUM AND SODIUM CLUSTERS

被引:34
作者
CAR, R
MARTINS, JL
机构
关键词
D O I
10.1016/0039-6028(81)90212-0
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 ;
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页码:280 / 286
页数:7
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共 27 条
[1]   CALCULATED PROPERTIES OF CUCL AND NA CLUSTERS [J].
BAETZOLD, RC ;
MACK, RE .
INORGANIC CHEMISTRY, 1975, 14 (03) :686-689
[2]  
Bardsley J. N., 1974, Case Studies in Atomic Physics, V4, P299
[3]   Pseudopotential calculations of alkali interactions [J].
Bardsley, J. N. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (05) :517-520
[4]   PSEUDOPOTENTIAL CALCULATIONS FOR NA+2, NA AND NA-2 [J].
BARDSLEY, JN ;
JUNKER, BR ;
NORCROSS, DW .
CHEMICAL PHYSICS LETTERS, 1976, 37 (03) :502-506
[5]   PSEUDOPOTENTIAL SPIN-DENSITY FUNCTIONAL CALCULATION OF THE GROUND-STATE PROPERTIES OF NA-2 AND NA-2(+) [J].
CAR, R ;
MEULI, RA ;
BUTTET, J .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (09) :4511-4516
[7]   CALCULATION OF EQUILIBRIUM GEOMETRIES AND IONIZATION ENERGIES OF SODIUM CLUSTERS UP TO NA8 [J].
FLAD, J ;
STOLL, H ;
PREUSS, H .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (07) :3042-3052
[8]  
Fomenko V S., 1966, HDB THERMIONIC PROPE
[9]   IONIZATION POTENTIALS OF CLUSTERED ALKALI METAL ATOMS [J].
FOSTER, PJ ;
LECKENBY, RE ;
ROBBINS, EJ .
JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1969, 2 (04) :478-&
[10]   ELECTRONIC-STRUCTURE OF SMALL CLUSTERS OF SODIUM [J].
GELB, A ;
JORDAN, KD ;
SILBEY, R .
CHEMICAL PHYSICS, 1975, 9 (1-2) :175-182