Hartree-Fock calculations with Wood-Saxon basis functions
نویسندگان
چکیده
منابع مشابه
Parallel scalability of Hartree-Fock calculations.
Quantum chemistry is increasingly performed using large cluster computers consisting of multiple interconnected nodes. For a fixed molecular problem, the efficiency of a calculation usually decreases as more nodes are used, due to the cost of communication between the nodes. This paper empirically investigates the parallel scalability of Hartree-Fock calculations. The construction of the Fock m...
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We extensively develop an algorithm of implementing the Hartree-Fock-Bogolyubov calculations, in which the Gaussian expansion method is employed. This algorithm is advantageous in describing the energy-dependent exponential and oscillatory asymptotics of the quasiparticle wave functions at large r, and in handling various effective interactions including those with finite ranges. We apply the p...
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The Woods-Saxon basis has been suggested to replace the widely used harmonic oscillator basis for solving the relativistic mean field (RMF) theory in order to generalize it to study exotic nuclei. As examples, relativistic Hartree theory is solved for spherical nuclei in a Woods-Saxon basis obtained by solving either the Schrödinger equation or the Dirac equation (labelled as SRHSWS and SRHDWS,...
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ژورنال
عنوان ژورنال: Nuclear Physics A
سال: 1969
ISSN: 0375-9474
DOI: 10.1016/0375-9474(69)91051-3