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1.
The Fermi and Coulomb holes of the 21
S state of the helium isoelectronic sequence are investigated. Several interesting differences between the results obtained and those which might be expected on the basis of the corresponding 23
S state are pointed out and discussed. 相似文献
2.
Jacob Katriel 《International journal of quantum chemistry》1989,35(4):461-470
A combinatorial derivation of the product of the class of three cycles, [(1)N?3(3)]N with an arbitrary class operator of the symmetric group SN is presented. The form of this result suggests a conjecture concerning the expression of the general class operator product in terms of a relatively small number of reduced class coefficients. The conjecture is applied to the determination of the products of [(1)N?4(4)]N, [(1)N?4(2)2]N, and [(1)N?5(5)]N with arbitrary class operators. General expressions for the reduced class coefficients of the simplest type are obtained. 相似文献
3.
The pair distribution functions evaluated for the 23S state of the helium isoelectronic sequence from the Hart and Herzberg correlated wave functions and those corresponding to the Hartree-Fock approximation are used to determine the shape of the corresponding Coulomb holes. As a consequence of a discontinuity in the Hartree-Fock solution between He and Li+, the Coulomb hole has a different shape for He than for Li+ and the other isoelectronic ions. 相似文献
4.
We prove Lieb-Thirring-type bounds on eigenvalues of non-selfadjoint Jacobi operators, which are nearly as strong as those
proven previously for the case of selfadjoint operators by Hundertmark and Simon. We use a method based on determinants of
operators and on complex function theory, extending and sharpening earlier work of Borichev, Golinskii and Kupin. 相似文献
5.
An algorithm is presented for the construction of single- and multi-cluster harmonic oscillator wave functions that are coupled into well-defined irreducible representations ofSU 3 as well as of the symmetric groupS N . The single-cluster harmonic oscillatorSU 3 wave functions are constructed recursively, using theSU 3 coefficients of fractional parentage. To construct multi-cluster wave functions with a well-defined permutational symmetry we diagonalize an appropriate set of single-cycle class operators of the symmetric group involving all the constituent particles. The formalism is applicable to the study of multi-cluster systems in nuclear physics where the wave functions are expressed in terms of harmonic oscillatorSU 3 states 相似文献
6.
We develop a new method for obtaining bounds on the negative eigenvalues of self-adjoint operators B in terms of a Schatten norm of the difference of the semigroups generated by A and B, where A is an operator with non-negative spectrum. Our method is based on the application of the Jensen identity of complex function
theory to a suitably constructed holomorphic function, whose zeros are in one-to-one correspondence with the negative eigenvalues
of B. Applying our abstract results, together with bounds on Schatten norms of semigroup differences obtained by Demuth and Van
Casteren, to Schr?dinger operators, we obtain inequalities on moments of the sequence of negative eigenvalues, which are different
from the Lieb–Thirring inequalities.
Guy Katriel: Partially supported by the Minerva Foundation (Germany).
Submitted: September 4, 2007. Accepted: December 11, 2007. 相似文献
7.
8.
A model Hamiltonian proposed by Lines describing the magnetomechanical doupling in a magnetic dimer, is investigated. An exact solution is obtained, exhibiting variations in the nuclear geometry and vibration frequency within the different spin terms. Some theoretical and experimental implications are pointed out. 相似文献
9.
10.
Relaxation corrections to Koopmans' approximation for atomic ionization potentials are derived on the basis of the virial theorem. They require no information in addition to that available in the Hartree-Fock computation for the neutral system, and considerably improve the agreement with more accurate ionization potentials. 相似文献