Literature DB >> 17737288

Semiclassical methods in chemical physics.

W H Miller.   

Abstract

Semiclassical theory finds use in chemical physics both as a computational method and as a conceptual framework for interpreting quantum features in experiments and in numerical quantum calculations. The semiclassical description of one-dimensional dynamical systems is essentially a solved problem for eigenvalue and scattering situations and for general topologies of potential functions (simple potential wells, multiple wells, multiple barriers, and so forth). Considerable progress has also been made in generalizing semiclassical theory to multidimensional dynamical systems (such as inelastic and reactive scattering of atoms and molecules and vibrational energy levels of polyatomic molecules), and here, too, it provides a useful picture of quantum features (interference in product state distribution, generalized tunneling phenomena, and others) in these more complex systems.

Year:  1986        PMID: 17737288     DOI: 10.1126/science.233.4760.171

Source DB:  PubMed          Journal:  Science        ISSN: 0036-8075            Impact factor:   47.728


  4 in total

Review 1.  Phenomenological and molecular models of biological proton transfers.

Authors:  Patrick Bertrand
Journal:  J Biol Inorg Chem       Date:  2003-12-06       Impact factor: 3.358

2.  Vibrationally enhanced tunneling as a mechanism for enzymatic hydrogen transfer.

Authors:  W J Bruno; W Bialek
Journal:  Biophys J       Date:  1992-09       Impact factor: 4.033

3.  Barrier compression and its contribution to both classical and quantum mechanical aspects of enzyme catalysis.

Authors:  Sam Hay; Linus O Johannissen; Michael J Sutcliffe; Nigel S Scrutton
Journal:  Biophys J       Date:  2010-01-06       Impact factor: 4.033

4.  The calculation of transport properties in quantum liquids using the maximum entropy numerical analytic continuation method: application to liquid para-hydrogen.

Authors:  Eran Rabani; David R Reichman; Goran Krilov; Bruce J Berne
Journal:  Proc Natl Acad Sci U S A       Date:  2002-02-05       Impact factor: 11.205

  4 in total

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