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Calculated Pressure Induced BCC-FCC Phase Transitions in Alkali Metals
Pressure Phase Transformations Alkali Metals Electronic Structure Calculations LMTO Method
2010/4/8
The partial occupation numbers and density of states (DOS), and the total DOS at the Fermi level are calculated as a function of reduced atomic volume for bcc and fcc alkali metals employing the linea...
A Study of the Electronic Properties of Liquid Alkali Metals. A Self-Consistent Approach
the Electronic Properties Liquid Alkali Metals A Self-Consistent Approach
2010/10/28
We study the electronic properties (density of states, conductivity and thermopower) of some nearly-freeelectron systems: the liquid alkali metals and two liquid alloys, Li-Na and Na-K. The study has ...
The Single Step VMHNC Calculations for Liquid Alkali Metals in the Inverse Problem
liquid metals inverse potentials VMHNC theory
2010/4/13
An effective pair potential f (r) for liquid alkali metals close totheir melting points is extracted from an experimental structure factor using the inverse method based on the variational modified hy...
The Structure of Liquid Alkali Metals Calculated by the Thermodynamic Perturbation Theory
hypernetted-chain Percus-Yevick empty-core optimized random-phase approximation
2010/4/16
The structure of a hard sphere fluid has been calculated numerically via the Percus-Yevick (PY) and hypernetted-chain (HNC) closure relations and used as a reference system to calculate the structure ...