Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Kenta Hongo"'
Publikováno v:
MATERIALS TRANSACTIONS. 48:662-665
We have investigated Hund’s spin-multiplicity rule for the second and third row atoms (C, N, O, Si, P, and S) and the methylene molecule (CH2) by means of diffusion Monte Carlo method and complete active space self-consistent field method, respecti
Publikováno v:
Materials Transactions. 47(11):2612-2616
A systematic diffusion Monte Carlo (DMC) study of both neutral and charged atomic systems from Li to Ne in the ground state is performed to evaluate the correlation energy (Ec), the ionization energy (IE), and the electron affinity (EA) of these syst
Publikováno v:
MATERIALS TRANSACTIONS. 45:1402-1410
g �� ðr; r 0 Þ fulfill the symmetric property, the Pauli principle and the sum rules. In the limit of uniform density the two correlation functions are reduced to the very accurate analogues of the electron liquid that involve long-, intermedia
Publikováno v:
Materials Transactions. 42(3):439-442
Cluster deposition process is expected to open a new scheme for thin-film formation process, which realizes better physico-chemical properties than by conventional processes. We simulate the variants of morphologies of thin films fabricated by the cl
Publikováno v:
MATERIALS TRANSACTIONS. 47:2617-2619
Electron correlation in chromium-doped silicon cluster (Cr@Si12) in its neutral, positively, and negatively charged states with different nuclear configurations is investigated by means of quantum Monte Carlo methods. It is found that the correlation