Ceperley

Ceperley D M 1996 Path integral Monte Carlo for fermions Monte Carlo and Molecular Dynamics of Condensed Matter Systems vol 49, ed K Binder and E G Ciccotti (Bologna Italian Physical Society) pp 443-82... 

Ceperley D M and Alder B J 1980 Ground state of the electron gas by a stochastic method Phys. Rev.L 45 566-9... 

Bishop M, Ceperley D, Frisch FI L and Kales M FI 1980 Investigation of static properties of model bulk polymer fluids J Chem. Phys. 72 3228... 

K. E. Schmidt, D. M. Ceperley. In K. Binder, ed. The Monte Carlo Method in Condensed Matter Physics. Topics in Applied Physics, Vol. 71. Berlin, Heidelberg Springer, 1992. 

Accurate values of the correlation functional are available thanks to the quantum Monte Carlo calculations of Ceperley and Alder (1980). These values have been interpolated in order to give an analytic form to the correlation potential (Vosko, Wilk and Nusair, 1980). 

Calculations were done with a full-potential version of the LMTO method with nonoverlapping spheres. The contributions from the interstitial region were accounted for by expanding the products of Hankel functions in a series of atom-ce- -ered Hankels of three different kinetic energies. The corrected tetrahedron method was used for Brillouin zone integration. Electronic exchange and correlation contributions to the total energy were obtained from the local-density functional calculated by Ceperley and Alder " and parametrized by Vosko, Wilk, and Nusair. ... 

Pollock, E.L. Ceperley, D.M., Simulation of quantum many-body systems by path-integral methods, Phys. Rev. B 1984, 30, 2555-2568... 

Ceperley, D. M., Path integrals in the theory of condensed helium, Rev. Mod. Phys. 

All calculations presented here are based on density-functional theory [37] (DFT) within the LDA and LSD approximations. The Kohn-Sham orbitals [38] are expanded in a plane wave (PW) basis set, with a kinetic energy cutoff of 70 Ry. The Ceperley-Alder expression for correlation and gradient corrections of the Becke-Perdew type are used [39]. We employ ah initio pseudopotentials, generated by use of the Troullier-Martins scheme [40], The coreradii used, in au, were 1.23 for the s, p atomic orbitals of carbon, 1.12 for s, p of N, 0.5 for the s of H, and 1.9, 2.0, 1.5, 1.97,... 

A. Barker, in The Problem of Long-Range Forces in the Computer Simulation of Condensed Matter, Ed. by D. Ceperley, Vol. 9, NRCC Workshop toceedings, 1980, p. 45. 

---