Expectation values in one- and two-electron atomic systems

被引:42
作者
Tsapline, B. [1 ]
机构
[1] Ctr Adv Studies, Battelle Inst, Carouge, Switzerland
关键词
D O I
10.1016/0009-2614(70)85235-6
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
Some inequalities are derived for electronic expectation values in position and momentum spaces from theoretical considerations including the Schwarz inequality. The influence of the type of the basis (usual exponential orbitals or gaussian orbitals) is analysed. Numerical applications are given for hydrogen and helium.
引用
收藏
页码:596 / 600
页数:5
相关论文
共 11 条
[1]  
BOHM D, 1958, QUANTUM THEORY
[2]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[3]   SOME MOLECULAR COMPTON PROFILES [J].
CORNILLE, M ;
ROUX, M ;
TSAPLINE, B .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 :105-&
[4]   2-CENTER INTEGRALS OVER SOLID SPHERICAL HARMONICS [J].
GELLER, M .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (01) :84-&
[5]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[7]  
Messiah A, 1967, QUANTUM MECH
[9]   LOWER BOUNDS TO ENERGIES FOR GAUSSIAN WAVE FUNCTIONS - STUDIES OF HYDROGEN-ATOM GROUND STATE [J].
SCHWARTZ, ME .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1967, 90 (567P) :51-&
[10]  
TSAPLINE B, 1970, CR ACAD SCI B PHYS, V270, P865