DOUBLE ZETA-D RADIAL WAVE-FUNCTIONS FOR TRANSITION-ELEMENTS

被引:31
作者
FITZPATRICK, NJ
MURPHY, GH
机构
关键词
D O I
10.1016/S0020-1693(00)84642-3
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
引用
收藏
页码:139 / 140
页数:2
相关论文
共 9 条
[1]   MOLECULAR-ORBITAL THEORY OF ORGANOMETALLIC COMPOUNDS .7. A COMPARISON OF 3D RADIAL WAVE FUNCTIONS OF FIRST TRANSITION SERIES [J].
BROWN, DA ;
FITZPATR.NJ .
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1966, (07) :941-&
[2]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[3]   PHOTOELECTRON-SPECTRA AND THEIR RELATIVISTIC INTERPRETATION FOR GASEOUS BISMUTH TRIHALIDES [J].
EGDELL, RG ;
HOTOKKA, M ;
LAAKSONEN, L ;
PYYKKO, P ;
SNIJDERS, JG .
CHEMICAL PHYSICS, 1982, 72 (03) :237-247
[4]   CONSISTENT APPROXIMATE WAVEFUNCTIONS FOR ALL ELEMENTS OF THE PERIODIC TABLE [J].
FITZPATRICK, NJ ;
MURPHY, GH .
INORGANICA CHIMICA ACTA-ARTICLES AND LETTERS, 1984, 87 (01) :41-46
[5]  
Herman F., 1963, ATOMIC STRUCTURE CAL
[6]  
McLean A. D., 1981, Atomic Data and Nuclear Data Tables, V26, P197, DOI 10.1016/0092-640X(81)90012-7
[7]   RELATIVISTICALLY PARAMETERIZED EXTENDED HUCKEL CALCULATIONS .3. STRUCTURE AND BONDING FOR SOME COMPOUNDS OF URANIUM AND OTHER HEAVY-ELEMENTS [J].
PYYKKO, P ;
LOHR, LL .
INORGANIC CHEMISTRY, 1981, 20 (07) :1950-1959
[8]   RELATIVISTICALLY PARAMETERIZED EXTENDED HUCKEL CALCULATIONS .8. DOUBLE-ZETA PARAMETERS FOR THE ACTINOIDS TH, PA, U, NP, PU, AND AM AND AN APPLICATION ON URANYL [J].
PYYKKO, P ;
LAAKSONEN, L .
JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (21) :4892-4895
[9]   RELATIVISTICALLY PARAMETERIZED EXTENDED HUCKEL CALCULATIONS .7. NUCLEAR-SPIN SPIN COUPLING TENSORS AND DENSITIES OF STATES FOR CLUSTER-MODELS OF CDTE, HGTE AND PBTE [J].
VISTE, A ;
HOTOKKA, M ;
LAAKSONEN, L ;
PYYKKO, P .
CHEMICAL PHYSICS, 1982, 72 (03) :225-235