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Hartee-Fock Self-Consistent Field Method for Many-Electron Systems

Pranawa C. Deshmukh1*, Alak Banik2 and Dilip Angom3 

1 Indian Institute of Technology Madras, Chennai;
2 Space Applications Centre, Ahmadabad;
3Physical Research Laboratory, Ahmadabad. *pcd@physics.iitm.ac.in


ABSTRACT

 The analytical solutions to the Schrodinger equation for the non-relativistic Hydrogen atom are well known to an under-graduate. As one considers an atom or ion with more than one electron, one encounters formidable challenges, since exact analytical solutions cannot be obtained for a system of many-electrons. The electron-electron term makes the solution inseparable in single-particle coordinates, except in only an approximate manner. The Hartree-Fock Self Consistent Field approximation (HF SCF) provides an excellent starting point to deal with a many-electron system and even if further improvements on this are available and often employed, the HF SCF scheme itself serves a very large number of applications. The methodology is applicable not only to atoms/ions, but is readily extended to study other many-body systems, including molecules, clusters, solids etc. An introduction to the basic principles employed in the HF SCF scheme is provided in this article.


To download the article click on the link below:

http://www.physics.iitm.ac.in/~labs/amp/homepage/DST_SERC_School_Publications/PCD-100-SCF.pdf

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