Path-integral simulation of pure water☆
暂无分享,去创建一个
[1] Bruce J. Berne,et al. Nonergodicity in path integral molecular dynamics , 1984 .
[2] R. W. Hall,et al. A Path Integral Monte Carlo Study of Liquid Neon and the Quantum Effective Pair Potential , 1984 .
[3] Bruce J. Berne,et al. Time correlation functions in quantum systems , 1984 .
[4] A. Soper. The structure of liquid water at room temperature , 1984 .
[5] J. Reimers,et al. A local mode potential function for the water molecule , 1984 .
[6] M. Klein,et al. Computer simulation of muonium in water , 1984 .
[7] J. Reimers,et al. The structure and vibrational spectra of small clusters of water molecules , 1984 .
[8] M. Parrinello,et al. Study of an F center in molten KCl , 1984 .
[9] R. A. Kuharski,et al. Quantum mechanical contributions to the structure of liquid water , 1984 .
[10] B. Berne,et al. On the calculation of time correlation functions in quantum systems: Path integral techniquesa) , 1983 .
[11] Bruce J. Berne,et al. An iterative scheme for the evaluation of discretized path integrals , 1983 .
[12] William C. Swope,et al. The role of long ranged forces in determining the structure and properties of liquid water , 1983 .
[13] J. Reimers,et al. Analysis of the OH bend and stretch region in the vibrational spectrum of water , 1983 .
[14] A. Narten,et al. Neutron diffraction study of light and heavy water mixtures at 25 °C , 1982 .
[15] B. Berne,et al. On path integral Monte Carlo simulations , 1982 .
[16] P. Wolynes,et al. Convenient and accurate discretized path integral methods for equilibrium quantum mechanical calculations , 1981 .
[17] J. A. Barker. A quantum‐statistical Monte Carlo method; path integrals with boundary conditions , 1979 .
[18] Frank H. Stillinger,et al. Revised central force potentials for water , 1978 .
[19] F. Stillinger,et al. Study of a central force model for liquid water by molecular dynamics , 1975 .
[20] F. Stillinger,et al. Central-force model for liquid water , 1975 .