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By I. Prigogine, Stuart A. Rice

ISBN-10: 0471143219

ISBN-13: 9780471143215

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Pkys. Rep. 9, 115 (1989): M. Krauss and W. J. Stevens. Ann. Rev. Pkys. Ckem. 35, 357 (1984). 41. M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J . Ckem. Pkys. 86, 866 (1987). 42. E. L. Shirley, L. Mitas, and R. M. Martin, Pkys. Rev. B 44,3395 (1991). 43. P. Acioli and D. M. Ceperley, J . Ckem. Pkys. 100, 8169 (1994). 44. P. A. Christiansen, J . Pkys. Ckem. 94, 7865 (1990). 45. H. J. Flad, A . Savin, M. Schultheiss, A . Nicklass, and H. Preuss, Ckem. Pkys. Lett. 222, 274 (1994). 46. P. A . Christiansen, J .

In Section I11 we give a detailed account of this optimized method for dissipative tight-binding systems. All of these approaches have been critically evaluated in Ref. 27, and it was shown that the optimized method is much more powerful than all earlier approaches, allowing us to go out to much longer real times than before. Applications are then presented in Section 1V. These examples should served as a guide as to what kinds of problems can be studied with these techniques and the limitations and possibilities for these methods.

Schmidt, and J. W. Moskowitz, J . Chem. Phys. 97, 2600 (1992). R. P. , 1972. D. M. Ceperley, Rev. Mod. , 67, 279 (1995). D. M. Ceperley, Phys. Rev. Lett. 69, 331 (1992). M. CEPERLEY AND L. MITAS 25. C. Pierleoni, D. M. Ceperley, B. Bernu, and W. R. Magro, Pkys. Rev. Lett. 73, 2145 (1994). 26. D. M. Ceperley and B. J. Alder, Pkys. Rev. B 36, 2092 (1987). 27. M. Urban, R. J. Bartlett, and S. A. Alexander, Intern. J . Quantum Ckem. Symp. 26, 271 (1992). 28. J. Cizek, J . Ckem. Pkys. 45, 4256 (1966): A d v .

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Advances in Chemical Physics, New Methods in Computational Quantum Mechanics (Volume 93) by I. Prigogine, Stuart A. Rice


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