Monday, September 13, 2021

Code: helium hf radial

 Code heliumhfradial.f90 2 (orheliumhfradial.c 3) solves Hartree-Fock equations for the ground state of He atom. helium hfradial is based on code hydrogen radialand uses the same integration algorithm based on Numerov’s method. The new part is the implementation of the method of self-consistentfield for finding the orbitals.

http://www.fisica.uniud.it/~giannozz/Didattica/MQ/LectureNotes/mq-cap6.pdf 

 

http://www.fisica.uniud.it/%7Egiannozz/Didattica/MQ/Software/C/helium_hf_radial.c 

http://www.fisica.uniud.it/%7Egiannozz/Didattica/MQ/Software/F90/helium_hf_radial.f90 

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