International Journal of Mathematics and Computational Science
Articles Information
International Journal of Mathematics and Computational Science, Vol.1, No.2, Apr. 2015, Pub. Date: Mar. 31, 2015
New Method of the Approximation of Hartree-Fock Wave Functions
Pages: 55-58 Views: 1224 Downloads: 518
[01] N. V. Novikov, Skobeltsyn Institute of Nuclear Physics, Moscow State University, Moscow, Russia.
A new method of the approximation of the solution to the Hartree-Fock equation for many-electron atoms and ions is proposed. The method is based on the increase in the accuracy of the approximation of wave functions corresponding to different shells. This makes it possible to reach the accuracy that is close to the error of the numerical solution. More than 14000 wave functions of the ground and excited states of atoms and ions with the number of electrons ranging from 2 to 18 are obtained.
Hartree-Fock Equation, Wave Function, Excited States of Ions
[01] D.R. Hartree, The Calculations of Atomic Structures, Wiley, New York, 1957.
[02] J.S. Slater, Quantum Theory of Atomic Structures, Vol.1 and 2, McGraw-Hill, New York 1960.
[03] C. Froese Fischer, The Hartree-Fock Method for atoms, Wiley, New York, 1977.
[04] C. Froese Fischer, Computer Phys. Commun. 64 (1991) 369-519.
[05] C. C. Roothan, Rev. Mod. Phys. 23 (1951) 69-89
[06] C. C. Roothan, Rev. Mod. Phys. 32 (1960) 179-192.
[07] S. Huzinaga, A. Hart-Davis, Phys. Rev. A 8 (1973) 1734-1738.
[08] E. Clementi, C. Roetti, Atomic Data Nucl. Data Tables. 14 (1974) 177-478.
[09] M.L. Sachdeva, S.P. Puri, Phys. Rev. A 14 (1976) 1603-1606.
[10] A.D. McLean, R.S. McLean, Atomic Data Nucl. Data Tables. 26 (1981) 197-381.
[11] C.F. Bunge, J.A. Barrientos, A.V. Bunge. Atomic Data Nucl. Data Tables 53 (1993) 113-162.
[12] N.V. Novikov, Wave Function Value Database
[13] N.V. Novikov, Ya. A. Teplova, Physics Letters A 375 (2011) 4138-4140.
[14] N.V. Novikov, Journal of Surface Investigation. X_ray, Synchrotron and Neutron Techniques, 6 (2012) 203–207.
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