CALCULATION OF OPTICAL POLARIZABILITY OF ATOMS WITH TWO OPEN SHELLS IN THE HARTREE-FOCK APPROXIMATION

被引:0
|
作者
Malykhanov, Yu. B. [1 ]
Eryomkin, I. N. [1 ]
机构
[1] ME Evsevev Mordovian State Pedag Inst, Saransk 430007, Russia
关键词
time-dependent perturbation theory; optical polarizability; Huzinaga method; two open shells;
D O I
10.1007/s10812-008-9087-5
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
Time-dependent Hartree-Fock equations (the Huzinaga method) in terms of density functionals have been obtained for a multielectronic system with two open shells of different symmetry species subjected to a time-dependent external perturbation. Based on these, the equations of time-dependent "bound" perturbation theory have been written in the orbital representation. The dynamic dipole polarizability of a number of atoms with two open shells with s(1)p(n)-configurations has been calculated using an optimized basis set of Slater-type atomic orbitals.
引用
收藏
页码:483 / 487
页数:5
相关论文
共 50 条
  • [21] THE HARTREE-FOCK SENIORITY APPROXIMATION
    GOMEZ, JMG
    PRIETO, C
    NUCLEAR PHYSICS A, 1986, 452 (03) : 462 - 476
  • [22] Calculation of the dipole hyperpolarizability of atoms with closed and open shells by the Hartree-Fock-Roothaan method
    Yu. B. Malykhanov
    I. N. Eremkin
    S. A. Begeeva
    Journal of Applied Spectroscopy, 2008, 75 : 1 - 9
  • [23] CALCULATION OF THE DIPOLE HYPERPOLARIZABILITY OF ATOMS WITH CLOSED AND OPEN SHELLS BY THE HARTREE-FOCK-ROOTHAAN METHOD
    Malykhanov, Yu. B.
    Eremkin, I. N.
    Begeeva, S. A.
    JOURNAL OF APPLIED SPECTROSCOPY, 2008, 75 (01) : 1 - 9
  • [24] NEUTRON-STAR CALCULATIONS IN THE RELATIVISTIC HARTREE-FOCK AND HARTREE-FOCK APPROXIMATION
    WEBER, F
    WEIGEL, MK
    NUCLEAR EQUATION OF STATE, PART A: DISCOVERY OF NUCLEAR SHOCK WAVES AND THE EOS, 1989, 216 : 785 - 792
  • [25] MANY-BODY CALCULATION OF ATOMIC POLARIZABILITY - RELATION TO HARTREE-FOCK THEORY
    CHANG, ES
    PU, RT
    DAS, TP
    PHYSICAL REVIEW, 1968, 174 (01): : 16 - &
  • [26] Hartree-Fock theory for pseudorelativistic atoms
    Dall'Acqua, Anna
    Sorensen, Thomas Ostergaard
    Stockmeyer, Edgardo
    ANNALES HENRI POINCARE, 2008, 9 (04): : 711 - 742
  • [27] EXTENDED HARTREE-FOCK EQUATIONS FOR ATOMS
    SHARMA, CS
    JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1969, 2 (10): : 1010 - &
  • [28] The size of atoms in Hartree-Fock theory
    PhilipSolovej, J
    PARTIAL DIFFERENTIAL EQUATIONS AND MATHEMATICAL PHYSICS, 1996, 21 : 321 - 332
  • [29] SIMPLIFIED HARTREE-FOCK PROCEDURE FOR ATOMS WITH 2 ELECTRONS OUTSIDE CLOSED SHELLS
    CHISHOLM, CD
    OPIK, U
    PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1964, 83 (5344): : 541 - &
  • [30] HARTREE-FOCK IONIZATION POTENTIALS OF ATOMS
    FRAGA, S
    SAXENA, KMS
    KARWOWSK.J
    CANADIAN JOURNAL OF PHYSICS, 1973, 51 (19) : 2063 - 2074