By Stuart A. Rice, Aaron R. Dinner
Advances in Chemical Physics is the single sequence of volumes to be had that explores the leading edge of study in chemical physics.
- This is the single sequence of volumes on hand that provides the leading edge of analysis in chemical physics.
- Includes contributions from specialists during this box of research.
- Contains a consultant cross-section of study that questions proven pondering on chemical solutions.
- Structured with a piece of writing framework that makes the e-book a great complement to a complicated graduate type in actual chemistry or chemical physics.
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Extra resources for Advances in Chemical Physics, Volume 156
Nat. Acad. Sci. 106, 16556 (2009). 73. H. Jin, Y. You, and X. Zhou, IEEE. Symposium on Signal Processing and Its Applications, 2007. 74. R. Kosloff, J. Phys. Chem. 92, 2087 (1988) and references therein. ENTROPY-DRIVEN PHASE TRANSITIONS IN COLLOIDS: FROM SPHERES TO ANISOTROPIC PARTICLES MARJOLEIN DIJKSTRA Soft Condensed Matter group, Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 5, 3584 CC Utrecht, The Netherlands CONTENTS I. Introduction II. Predicting Candidate Crystal Structures III.
We have decided to take a different approach, in which the Gaussian basis is fixed and only the coefficients change in time . Our motivation is several fold: 1. As we have seen in the TISE, the periodic boundary conditions are crucial to obtain convergence with a reasonable number of basis functions. It is not obvious how to incorporate periodic boundary conditions into a basis of moving Gaussians; 2. The most successful methods using time-evolving Gaussians use Gaussians with fixed widths.
Phys. 108, 5404 (1998). 28. T. B. F. Hayes, J. Chem. Phys. 110, 2354 (1999). 29. H. R. H. F. W. Field, J. Chem. Phys. 134, 244311 (2011). 30. J. Tannor, Introduction to Quantum Mechanics: A Time-dependent Perspective, University Science Books, Sausalito, 2007, eq. 163. 31. See supplementary material to . 32. J. Tannor, Introduction to Quantum Mechanics: A Time-dependent Perspective, University Science Books, Sausalito, 2007, eq. 85. 33. T. Genossar and M. Porat, IEEE 22, 449 (1992). 34. S. Orr, IEEE Transactions on Signal Processing 41, 122 (1993).