Advances in Chemical Physics, New Methods in Computational by I. Prigogine, Stuart A. Rice

By I. Prigogine, Stuart A. Rice

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86, 1069 (1987). 54. B. L. Hammond, P. J . Reynolds, and W. A. , J. Ckem. Pkys. 87, 1130 ( 1987). 55. J. C. Grossman and L. Mitas, Pkys. Rev. Lett. 74, 1323 (1995). 56. R. M. Panoff and J. Carlson, Pkys. Rev. Lett. 62, 1130 (1989). 57. L. Mitas, Pkys. Rev. A 49, 4411 (1994). QUANTUM MONTE CARL0 METHODS IN CHEMISTRY 37 58. J. C. Grossman, L. Mitas, and K. Raghavachari, Phys. Rev. Lett. 75, 3870 (1995). 59. L. Mitas and R. M. Martin, Phys. Rev. Lett. 72, 2438 (1994). 60. L. Mitas, in Electronic Properties of Solids Using Cluster Methods, T.

The latter results has been obtained by Rizzo et al. [83] by a CI calculation that included spdfghi basis functions. Other interesting calculations of Be”, Ne8+, Be, and Ne atom have been carried out by Kenny et al. [85] in which they evaluated perturbationally the relativistic corrections to the total energies. In particular, they found that the Breit correction is systematically larger in the Dirac-Fock approximation and calculated the most accurate values of relativistic corrections for the Ne atom to date.

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