MPQC
88 стр., ISBN:
6200782725
Please note that the content of this book primarily consists of articles available from Wikipedia or other free sources online. MPQC (Massively Parallel Quantum Chemistry) is an ab initio computational chemistry software program. Three features distinguish it from other quantum chemistry programs such as GAUSSIAN and GAMESS: it is open source, has an object-oriented design, and is created from the beginning as a parallel processing program. MPQC provides implementations for a number of important methods for calculating electronic structure, including Hartree–Fock, Moller–Plesset perturbation theory (including its explicitly correlated linear R12 versions), and density functional theory.
Под заказ: |
|
OZON.ru - 4399 руб.
|
Перейти
|
|
|