Announcement | Registration | Programme (Thursday, Friday, Saturday)
Numerical View of Kiel

The interdisciplinary center of numerical simulation of the Christian-Albrechts-University of Kiel in cooperation with the GAMM Committee Efficient numerical methods for pdes organises the workshop

2nd Scientific Computing Seminar

Approximation in High Dimensions and the Electronic Schrödinger Equation

Christian-Albrechts-University of Kiel, Germany
June 29th to July 1st, 2006.

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10.15 - 10.45 Hongjun Luo (Kassel):
Perturbative calculation of Jastrow factor

Saturday
1.7.2006

We have developed a perturbation theory for the calculation of Jastrow factors, where the perturbation energies converge to the variational energy of the Jastrow wave function. The perturbation methods are designed for linear as well as exponential Jastrow ansatz, which are closely related to many-body perturbation theory and coupled cluster methods. Test calculations are performed for homogeneous Fermi gas models with screened Coulomb interaction (Yukawa potential) e- μ r/r and with periodic boundary conditions (supercell approach). The out-coming Jastrow factors are compared with the ones calculated by Fermi hyper-netted-chain method (FHNC). The correlation energy is compared with standard MP2 result, and is judged by variational Monte Carlo (VQMC) and pure diffusion Monte Carlo calculations (PDMC).

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