نتایج جستجو برای: slater rules

تعداد نتایج: 127857  

Journal: :Graphs and Combinatorics 2005
William Y. C. Chen Christian Krattenthaler Arthur L. B. Yang

We consider a flagged form of the Cauchy determinant, for which we provide a combinatorial interpretation in terms of nonintersecting lattice paths. In combination with the standard determinant for the enumeration of nonintersecting lattice paths, we are able to give a new proof of the Cauchy identity for Schur functions. Moreover, by choosing different starting and end points for the lattice p...

Journal: :Int. J. Math. Mathematical Sciences 2005
Said Mohamed Ahmed

The aim of this paper is to investigate the Stoneley waves in a non-homogeneous orthotropic granular medium under the influence of a gravity field. The frequency equation obtained, in the form of a sixth-order determinantal expression, is in agreement with the corresponding result when both media are elastic. The frequency equation when the gravity field is neglected has been deduced as a parti...

2016
NAOYA YAMAGUCHI N. YAMAGUCHI

The transfer is a group homomorphism from a finite group to an abelian quotient group of a subgroup of the group. In this paper, we explain some properties of the transfer by noncommutative determinant. As a result, we can understand the properties of the transfer more naturally.

Journal: :The Journal of chemical physics 2012
F R Petruzielo Julien Toulouse C J Umrigar

A quantum Monte Carlo study of the atomization energies for the G2 set of molecules is presented. Basis size dependence of diffusion Monte Carlo atomization energies is studied with a single determinant Slater-Jastrow trial wavefunction formed from Hartree-Fock orbitals. With the largest basis set, the mean absolute deviation from experimental atomization energies for the G2 set is 3.0 kcal/mol...

Journal: :Biochemical Society transactions 1984
B A Law

Bull, A. T. (1980) in Contemporary Microbial Ecology (Ellwood, D. C., Latham, M. J., Hedger, J. N., Lynch, J. M. & Slater, J. H., eds.), pp. 107-136, Academic Press, London Bull, A. T. & Slater, J. H. (1982) in Microbial Interactwns and Communities (Bull, A. T. & Slater, J. H., eds.), vol. 1, pp. 1-12, Academic Press, London Cain, R. B. (1981) in Microbial Degradation of Xenobwtics and Recalcit...

Journal: :American Journal of Sociology 1915

Journal: :Journal of Chemical Theory and Computation 2021

We calculate complete basis set (CBS) limit-extrapolated ionization potentials (IPs) and electron affinities (EA) with Slater-type sets for the molecules in GW100 database. To this end, we present two new orbital (STO) of triple-(TZ) quadruple-ζ (QZ) quality, whose polarization is adequate correlated-electron methods which contain extra diffuse functions to be able correctly EAs a positive lowe...

Journal: :Journal of electron microscopy 2005
P H Dederichs I Galanakis Ph Mavropoulos

Using the state-of-the-art screened Korringa-Kohn-Rostoker Green function method we study the electronic and magnetic properties of NiMnSb and similar Heusler alloys. We show that all these compounds are half-metals, e.g. the minority-spin band is semiconducting and the Fermi level falls within this gap resulting in 100% spin polarization at the Fermi level. The total spin moment M(t) shows the...

Journal: :Journal de Physique Lettres 1979

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