Stuart A. Rice, Aaron R. Dinner's Advances in Chemical Physics, Advances in Chemical Physics PDF

By Stuart A. Rice, Aaron R. Dinner

ISBN-10: 1118949692

ISBN-13: 9781118949696

Advances in Chemical Physics is the single sequence of volumes on hand that explores the innovative of study in chemical physics.

  • This is the one sequence of volumes to be had that offers the leading edge of analysis in chemical physics.
  • Includes contributions from specialists during this box of research.
  • Contains a consultant cross-section of analysis that questions demonstrated pondering on chemical solutions.
  • Structured with a piece of writing framework that makes the booklet an exceptional complement to a sophisticated graduate type in actual chemistry or chemical physics.

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Additional resources for Advances in Chemical Physics, Advances in Chemical Physics (Volume 156)

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Child, J. Chem. Phys. 113, 10028 (2000). 56. V. S. Child, Chem. Phys. 304, 103 (2004). 57. M. J. Martinez, J. Chem. Phys. 108, 7244 (1998). 58. A. Worth and I. Burghardt, Chem. Phys. Lett. 368 502 (2003). 59. D. J. Heller, J. Chem. Phys. 87, 5302 (1987); ibid. 89, 4752 (1988). ˚ 60. M. Andersson, J. Chem. Phys. M. Andersson, J. O. Karlsson, and O. Goscinski, J. Phys. A: Math. Gen. 35, 7787 (2002). 61. 62. 63. 64. B. Hartke, Phys. Chem. Chem. Phys. 8, 3627 (2006). B. Corkum, Phys. Rev. Lett. 71, 1994 (1993).

VI. CONCLUSIONS AND FUTURE PROSPECTS The idea of a basis of phase space Gaussians dates back to the early days of quantum mechanics. The appeal of being able to place basis functions exactly where needed in phase space has fascinated researchers in both quantum mechanics and signal processing, but in practice the approach has always suffered from convergence problems. In this review we have discussed a simple way to converge the approach, and presented a theory that optimizes the phase space localization to obtain the most compact possible representation.

This thermodynamic integration path was introduced in Ref. [81] for hard spheres, and subsequently extended to hard dumbbells, hard superballs, and hard truncated cubes in Refs. [57,82,83]. For hard spheres with diameter ????, one may use ???? (i, j) = (rij ∕????)2 , which is zero when the two spheres are at center-of-mass distance rij = |ri − rj | = 0 and thus right on top of each other, and 1 when the particles are just in contact, that is, rij = ???? [81]. A similar approach was employed for hard dumbbells, where the individual spheres of each dumbbell interact with this penetrable pair potential [57].

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Advances in Chemical Physics, Advances in Chemical Physics (Volume 156) by Stuart A. Rice, Aaron R. Dinner


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