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The Atomic Structure Package (ATSP) - book code version

Fortran 96.43% Makefile 0.43% Elixir 2.05% Shell 0.92% Euphoria 0.16%

atomic-physics hartree-fock quantum-chemistry

atsp-book's Introduction

The MCHF Atomic Structure Package - book code version

Repository to keep the book code version of ATSP alive - mostly for teaching purposes together with the book "Computational Atomic Structure: An MCHF Approach" [C. F. Fischer et al. New York: Routledge (1997)].

Starting version: ATSP [C. F. Fischer et al. CPC 128 (2000) 635] + an updated version of GENCL with f-shell support from ATSP2K [P. Jönsson et al. CPC 184 (2013) 2197] that have been reverted to the coupling format used by the book-version of the codes.

Contact Jon Grumer (jon.grumer[at]physics.uu.se) for questions/ideas.

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lnaruto richardblucher

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add topics

I suggest adding topics such as hartree-fock, quantum-chemistry in the About section at https://github.com/compas/atsp-book,

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