Quantum-Shell Corrections to the Finite-Temperature Thomas-Fermi-Dirac Statistical Model of the Atom

Ritchie, A B

Lawrence Livermore National Laboratory

关键词: Aluminium;    Statistical Models;    Atoms;    71 Classical And Quantum Mechanics, General Physics;    Self-Consistent Field;   

DOI  :  10.2172/15005406
RP-ID  :  UCRL-ID-154448
RP-ID  :  W-7405-ENG-48
RP-ID  :  15005406

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来源: UNT Digital Library

【 摘 要 】

Quantum-shell corrections are made directly to the finite-temperature Thomas-Fermi-Dirac statistical model of the atom by a partition of the electronic density into bound and free components. The bound component is calculated using analytic basis functions whose parameters are chosen to minimize the energy. Poisson's equation is solved for the modified density, thereby avoiding the need to solve Schroedinger's equation for a self-consistent field. The shock Hugoniot is calculated for aluminum: shell effects characteristic of quantum self-consistent field models are fully captures by the present model.