Zobrazeno 1 - 10
of 61
pro vyhledávání: '"Hisashi Matsuyama"'
Autor:
Hisashi Matsuyama, Kota Motoyoshi
Publikováno v:
Chemical Physics Letters. 699:162-166
The limiting ionic molar conductivity ( λ ∞ ) of an electrolyte solution depends on the self-diffusion coefficient ( D s ) of the pure solvent when the temperature ( T ) changes. To study the D s -dependence of λ ∞ , we proposed a new empirical
Autor:
Toshikatsu Koga, Hisashi Matsuyama
Publikováno v:
Journal of Computational and Applied Mathematics. 233(6):1584-1589
The one-electron radial density function D(r) has recently been found to be separable into inner D(r) radial density functions. The inner D(r) densities are studied for 28 singly-excited 1snl singlet and triplet states (0≤l(r) are discussed within
Autor:
Hisashi Matsuyama, Toshikatsu Koga
Publikováno v:
Theoretical Chemistry Accounts. 121:267-270
We report the short- and long-range behavior of the inner \( \rho_ (r) \) densities, which result from a rigorous partitioning of the spherically averaged one-electron density \( \rho(r) \) in many-electron atoms. It is found that for a small r, \( \
Autor:
Hisashi Matsuyama, Toshikatsu Koga
Publikováno v:
Computing Letters. 3:295-300
Average low and high > momenta are examined for 28 singly-excited 1snl singlet and triplet states (0 ≤ l decreases with increasing n and decreasing l, while the high momentum > is nearly equal to 16/(3π)≅1.698, independent of n and l. Comparing
Autor:
Toshikatsu Koga, Hisashi Matsuyama
Publikováno v:
Theoretical Chemistry Accounts. 118:931-935
Within the Hartree-Fock framework, the spinless two-electron density function Γ (r1, r2) consists of direct Γdi (r1, r2) and exchange Γex (r1, r2) parts. Accordingly, the inner \(\langle r_{ }\rangle\) radii in many-electron systems are rigorously
Autor:
Hisashi Matsuyama, Toshikatsu Koga
Publikováno v:
Theoretical Chemistry Accounts. 118:643-647
Average inner > radii are studied for 28 singly-excited 1 snl singlet and triplet states (0 ≤ l ≤ n ≤ 5) of the He atom. In all the cases, the average inner radius > shows that the other electron of the 1snl states behaves approximately like an
Publikováno v:
Journal of Computational Chemistry. 28:2511-2516
For 14 actinide atoms from 90Th to 103Lr, contracted Gaussian-type function sets are developed for the description of correlations of the 5f, 6d, and 7s electrons. Basis sets for the 6d orbitals are also prepared, since the orbitals are important in
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 39:3541-3548
When two subshell electrons are considered simultaneously in many-electron atoms, the average subshell momentum pnl splits into two different momenta, low momentum p nl, where n and l are the principal and azimuthal quantum numbers. For the 102 atoms
Autor:
Hisashi Matsuyama, Toshikatsu Koga
Publikováno v:
Theoretical Chemistry Accounts. 117:123-126
The repulsion energy W between two electrons located at r1 and r2 can be expressed by the sum of the interaction energies Wk between an electron located at \({\bf r}_{>} \) and linear electric multipoles located at the coordinate origin along the vec
Publikováno v:
Theoretical Chemistry Accounts. 115:287-290
Angular correlation coefficients τnl,n^′ l^′ [p] between linear momenta of an electron in a subshell nl and another electron in a subshell n′ l′ are studied for the 102 neutral atoms He through Lr in their ground states, where n and l are th