View Item 

Show simple item record

Vibrational energy relaxation rate constants from linear response theory
dc.contributor.authorShi, Qiangen_US
dc.contributor.authorGeva, Eitanen_US
dc.date.accessioned2010-05-06T21:08:16Z
dc.date.available2010-05-06T21:08:16Z
dc.date.issued2003-04-22en_US
dc.identifier.citationShi, Qiang; Geva, Eitan (2003). "Vibrational energy relaxation rate constants from linear response theory." The Journal of Chemical Physics 118(16): 7562-7571. <http://hdl.handle.net/2027.42/69779>en_US
dc.identifier.urihttps://hdl.handle.net/2027.42/69779
dc.description.abstractA new approach for the calculation of vibrational energy relaxation rate constants is introduced. The new approach is based on linear response theory, and is shown to have several distinct advantages over the standard Landau–Teller formula, which is based on the Bloch–Redfield theory, namely: (1) weak system–bath coupling is not assumed; (2) selectivity in choosing the vibrational energy relaxation pathway, including non-Landau–Teller pathways, is possible; (3) the validity of rate kinetics can be explicitly verified; (4) direct extraction of the high-frequency tail of the force–force correlation function is avoided. A detailed analysis of the conditions under which the new expression reduces into the Landau–Teller formula, and an application in the case of bilinear coupling to a harmonic bath are provided. © 2003 American Institute of Physics.en_US
dc.format.extent3102 bytes
dc.format.extent130847 bytes
dc.format.mimetypetext/plain
dc.format.mimetypeapplication/pdf
dc.publisherThe American Institute of Physicsen_US
dc.rights© The American Institute of Physicsen_US
dc.titleVibrational energy relaxation rate constants from linear response theoryen_US
dc.typeArticleen_US
dc.subject.hlbsecondlevelPhysicsen_US
dc.subject.hlbtoplevelScienceen_US
dc.description.peerreviewedPeer Revieweden_US
dc.contributor.affiliationumDepartment of Chemistry and The FOCUS Center, University of Michigan, Ann Arbor, Michigan 48109-1055en_US
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/69779/2/JCPSA6-118-16-7562-1.pdf
dc.identifier.doi10.1063/1.1562611en_US
dc.identifier.sourceThe Journal of Chemical Physicsen_US
dc.identifier.citedreferenceD. W. Oxtoby, Adv. Chem. Phys. ADCPAA47, 487 (1981).en_US
dc.identifier.citedreferenceD. W. Oxtoby, Annu. Rev. Phys. Chem. ARPLAP32, 77 (1981).en_US
dc.identifier.citedreferenceD. W. Oxtoby, J. Phys. Chem. JPCHAX87, 3028 (1983).en_US
dc.identifier.citedreferenceJ. Chesnoy and G. M. Gale, Ann. Phys. (Paris) ANPHAJ9, 893 (1984).en_US
dc.identifier.citedreferenceJ. Chesnoy and G. M. Gale, Adv. Chem. Phys. ADCPAA70, 297 (1988).en_US
dc.identifier.citedreferenceC. B. Harris, D. E. Smith, and D. J. Russell, Chem. Rev. CHREAY90, 481 (1990).en_US
dc.identifier.citedreferenceD. W. Miller and S. A. Adelman, Int. J. Radiat. Phys. Chem. IJRCA613, 359 (1994).en_US
dc.identifier.citedreferenceR. M. Stratt and M. Maroncelli, J. Phys. Chem. JPCHAX100, 12981 (1996).en_US
dc.identifier.citedreferenceT. Elsaesser and W. Kaiser, Annu. Rev. Phys. Chem. ARPLAP42, 83 (1991).en_US
dc.identifier.citedreferenceJ. C. Owrutsky, D. Raftery, and R. M. Hochstrasser, Annu. Rev. Phys. Chem. ARPLAP45, 519 (1994).en_US
dc.identifier.citedreferenceW. F. Calaway and G. E. Ewing, J. Chem. Phys. JCPSA663, 2842 (1975).en_US
dc.identifier.citedreferenceS. R. J. Brueck and R. M. Osgood, Chem. Phys. Lett. CHPLBC39, 568 (1976).en_US
dc.identifier.citedreferenceA. Laubereau and W. Kaiser, Rev. Mod. Phys. RMPHAT50, 607 (1978).en_US
dc.identifier.citedreferenceB. Faltermeier, R. Protz, M. Maier, and E. Werner, Chem. Phys. Lett. CHPLBC74, 425 (1980).en_US
dc.identifier.citedreferenceB. Faltermeier, R. Protz, and M. Maier, Chem. Phys. CMPHC262, 377 (1981).en_US
dc.identifier.citedreferenceM. Chateau et al., J. Chem. Phys. JCPSA671, 4799 (1979).en_US
dc.identifier.citedreferenceC. Delalande and G. M. Gale, J. Chem. Phys. JCPSA673, 1918 (1980).en_US
dc.identifier.citedreferenceP. Roussignol, C. Delalande, and G. M. Gale, Chem. Phys. CMPHC270, 319 (1982).en_US
dc.identifier.citedreferenceE. J. Heilweil, F. E. Doany, R. Moore, and R. M. Hochstrasser, J. Chem. Phys. JCPSA676, 5632 (1982).en_US
dc.identifier.citedreferenceE. J. Heilweil, M. P. Casassa, R. R. Cavanagh, and J. C. Stephenson, Chem. Phys. Lett. CHPLBC117, 185 (1985).en_US
dc.identifier.citedreferenceE. J. Heilweil, M. P. Casassa, R. R. Cavanagh, and J. C. Stephenson, J. Chem. Phys. JCPSA685, 5004 (1986).en_US
dc.identifier.citedreferenceA. L. Harris, J. K. Brown, and C. B. Harris, Annu. Rev. Phys. Chem. ARPLAP39, 341 (1988).en_US
dc.identifier.citedreferenceM. E. Paige, D. J. Russell, and C. B. Harris, J. Chem. Phys. JCPSA685, 3699 (1986).en_US
dc.identifier.citedreferenceJ. C. Owrutsky et al., Chem. Phys. Lett. CHPLBC184, 368 (1991).en_US
dc.identifier.citedreferenceA. Moustakas and E. Weitz, J. Chem. Phys. JCPSA698, 6947 (1993).en_US
dc.identifier.citedreferenceD. A. V. Kliner, J. C. Alfano, and P. F. Barbara, J. Chem. Phys. JCPSA698, 5375 (1993).en_US
dc.identifier.citedreferenceD. Zimdars et al., Phys. Rev. Lett. PRLTAO70, 2718 (1993).en_US
dc.identifier.citedreferenceN. Pugliano, A. Z. Szarka, S. Gnanakaran, and R. M. Hochstrasser, J. Chem. Phys. JCPSA6103, 6498 (1995).en_US
dc.identifier.citedreferenceM. E. Paige and C. B. Harris, Chem. Phys. CMPHC2149, 37 (1990).en_US
dc.identifier.citedreferenceA. Salloum and H. Dubost, Chem. Phys. CMPHC2189, 179 (1994).en_US
dc.identifier.citedreferenceA. Tokmakoff, B. Sauter, and M. D. Fayer, J. Chem. Phys. JCPSA6100, 9035 (1994).en_US
dc.identifier.citedreferenceA. Tokmakoff and M. D. Fayer, J. Chem. Phys. JCPSA6103, 2810 (1995).en_US
dc.identifier.citedreferenceR. S. Urdahl et al., J. Chem. Phys. JCPSA6107, 3747 (1997).en_US
dc.identifier.citedreferenceJ. C. Owrutsky, M. Li, B. Locke, and R. M. Hochstrasser, J. Phys. Chem. JPCHAX99, 4842 (1995).en_US
dc.identifier.citedreferenceR. Laenen, C. Rauscher, and A. Laubereau, Phys. Rev. Lett. PRLTAO80, 2622 (1998).en_US
dc.identifier.citedreferenceS. Woutersen, U. Emmerichs, H. Nienhuys, and H. J. Bakker, Phys. Rev. Lett. PRLTAO81, 1106 (1998).en_US
dc.identifier.citedreferenceD. J. Myers et al., J. Chem. Phys. JCPSA6109, 5971 (1998).en_US
dc.identifier.citedreferenceD. E. Sagnella et al., Proc. Natl. Acad. Sci. U.S.A. PNASA696, 14324 (1999).en_US
dc.identifier.citedreferenceP. Hamm, M. Lim, and R. M. Hochstrasser, J. Chem. Phys. JCPSA6107, 10523 (1997).en_US
dc.identifier.citedreferenceT. A. Litovitz, J. Chem. Phys. JCPSA626, 469 (1957).en_US
dc.identifier.citedreferenceW. M. Madigosky and T. A. Litovitz, J. Chem. Phys. JCPSA634, 489 (1961).en_US
dc.identifier.citedreferenceP. K. Davis and I. Oppenheim, J. Chem. Phys. JCPSA657, 505 (1972).en_US
dc.identifier.citedreferenceD. W. Oxtoby, Mol. Phys. MOPHAM34, 987 (1977).en_US
dc.identifier.citedreferenceD. J. Nesbitt and J. T. Hynes, J. Chem. Phys. JCPSA677, 2130 (1982).en_US
dc.identifier.citedreferenceR. Zwanzig, J. Chem. Phys. JCPSA634, 1931 (1961).en_US
dc.identifier.citedreferenceP. S. Dardi and R. I. Cukier, J. Chem. Phys. JCPSA689, 4145 (1988).en_US
dc.identifier.citedreferenceP. S. Dardi and R. I. Cukier, J. Chem. Phys. JCPSA695, 98 (1991).en_US
dc.identifier.citedreferenceJ. K. Brown, C. B. Harris, and J. C. Tully, J. Chem. Phys. JCPSA689, 6687 (1988).en_US
dc.identifier.citedreferenceR. M. Whitnell, K. R. Wilson, and J. T. Hynes, J. Phys. Chem. JPCHAX94, 8625 (1990).en_US
dc.identifier.citedreferenceR. M. Whitnell, K. R. Wilson, and J. T. Hynes, J. Chem. Phys. JCPSA696, 5354 (1992).en_US
dc.identifier.citedreferenceF. E. Figueirido and R. M. Levy, J. Chem. Phys. JCPSA697, 703 (1992).en_US
dc.identifier.citedreferenceS. Jang, Y. Pak, and G. A. Voth, J. Phys. Chem. A JPCAFH103, 10289 (1999).en_US
dc.identifier.citedreferenceJ. S. Bader and B. J. Berne, J. Chem. Phys. JCPSA6100, 8359 (1994).en_US
dc.identifier.citedreferenceS. A. Egorov and J. L. Skinner, Chem. Phys. Lett. CHPLBC293, 439 (1998).en_US
dc.identifier.citedreferenceS. A. Egorov and B. J. Berne, J. Chem. Phys. JCPSA6107, 6050 (1997).en_US
dc.identifier.citedreferenceS. A. Egorov, K. F. Everitt, and J. L. Skinner, J. Phys. Chem. A JPCAFH103, 9494 (1999).en_US
dc.identifier.citedreferenceB. J. Berne, J. Jortner, and R. Gordon, J. Chem. Phys. JCPSA647, 1600 (1967).en_US
dc.identifier.citedreferenceA. G. Redfield, IBM J. Res. Dev. IBMJAE1, 19 (1957).en_US
dc.identifier.citedreferenceR. K. Wangsness and F. Bloch, Phys. Rev. PHRVAO89, 728 (1953).en_US
dc.identifier.citedreferenceC. P. Slichter, Principles of Magnetic Resonance (Springer-Verlag, Berlin, 1990).en_US
dc.identifier.citedreferenceA. Abragam, The Principles of Nuclear Magnetism (Oxford, London, 1961).en_US
dc.identifier.citedreferenceJ. M. Jean, R. A. Friesner, and G. R. Fleming, J. Chem. Phys. JCPSA696, 5827 (1992).en_US
dc.identifier.citedreferenceH. Gai and G. A. Voth, J. Chem. Phys. JCPSA699, 740 (1993).en_US
dc.identifier.citedreferenceW. T. Pollard and R. A. Friesner, J. Chem. Phys. JCPSA6100, 5054 (1994).en_US
dc.identifier.citedreferenceS. A. Egorov and J. L. Skinner, J. Chem. Phys. JCPSA6105, 7047 (1996).en_US
dc.identifier.citedreferenceE. Geva, E. Rosenman, and D. J. Tannor, J. Chem. Phys. JCPSA6113, 1380 (2000).en_US
dc.identifier.citedreferenceN. G. V. Kampen, Stochastic Processes in Physics and Chemistry (Elsevier, Amsterdam, 1992).en_US
dc.identifier.citedreferenceA. Nitzan and R. Silbey, J. Chem. Phys. JCPSA660, 4070 (1974).en_US
dc.identifier.citedreferenceM. Bruehl and J. T. Hynes, Chem. Phys. CMPHC2175, 205 (1993).en_US
dc.identifier.citedreferenceI. Benjamin and R. M. Whitnell, Chem. Phys. Lett. CHPLBC204, 45 (1993).en_US
dc.identifier.citedreferenceM. Tuckerman and B. J. Berne, J. Chem. Phys. JCPSA698, 7301 (1993).en_US
dc.identifier.citedreferenceS. Gnanakaran and R. M. Hochstrasser, J. Chem. Phys. JCPSA6105, 3486 (1996).en_US
dc.identifier.citedreferenceR. Rey and J. T. Hynes, J. Chem. Phys. JCPSA6104, 2356 (1996).en_US
dc.identifier.citedreferenceR. Larsen and R. M. Stratt, J. Chem. Phys. JCPSA6110, 1036 (1999).en_US
dc.identifier.citedreferenceS. A. Egorov and J. L. Skinner, J. Chem. Phys. JCPSA6112, 275 (2000).en_US
dc.identifier.citedreferenceK. F. Everitt, S. A. Egorov, and J. L. Skinner, Chem. Phys. CMPHC2235, 115 (1998).en_US
dc.identifier.citedreferenceK. F. Everitt and J. L. Skinner, J. Chem. Phys. JCPSA6110, 4467 (1999).en_US
dc.identifier.citedreferenceD. E. Sagnella et al., Biophys. J. BIOJAU77, 70 (1999).en_US
dc.identifier.citedreferenceJ. L. Skinner and K. Park, J. Phys. Chem. B JPCBFK105, 6716 (2001).en_US
dc.identifier.citedreferenceJ. Poulsen, S. R. Keiding, and P. J. Rossky, Chem. Phys. Lett. CHPLBC336, 488 (2001).en_US
dc.identifier.citedreferenceJ. Poulsen and P. J. Rossky, J. Chem. Phys. JCPSA6115, 8014 (2001).en_US
dc.identifier.citedreferenceJ. Poulsen and P. J. Rossky, J. Chem. Phys. JCPSA6115, 8024 (2001).en_US
dc.identifier.citedreferenceN. Makri, Annu. Rev. Phys. Chem. ARPLAP50, 167 (1999).en_US
dc.identifier.citedreferenceA. Nitzan, S. Mukamel, and J. Jortner, J. Chem. Phys. JCPSA660, 3929 (1974).en_US
dc.identifier.citedreferenceA. Nitzan, S. Mukamel, and J. Jortner, J. Chem. Phys. JCPSA663, 200 (1975).en_US
dc.identifier.citedreferenceD. C. Douglass, J. Chem. Phys. JCPSA635, 81 (1961).en_US
dc.identifier.citedreferenceS. A. Adelman and R. H. Stote, J. Chem. Phys. JCPSA688, 4397 (1988).en_US
dc.identifier.citedreferenceR. H. Stote and S. A. Adelman, J. Chem. Phys. JCPSA688, 4415 (1988).en_US
dc.identifier.citedreferenceS. A. Adelman, R. Muralidhar, and R. H. Stote, J. Chem. Phys. JCPSA695, 2738 (1991).en_US
dc.identifier.citedreferenceE. Rabani and D. R. Reichman, J. Phys. Chem. B JPCBFK105, 6550 (2001).en_US
dc.identifier.citedreferenceW. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes (Cambridge University Press, Cambridge, 1986).en_US
dc.identifier.citedreferenceD. Rostkier-Edelstein, P. Graf, and A. Nitzan, J. Chem. Phys. JCPSA6107, 10470 (1997).en_US
dc.identifier.citedreferenceD. Rostkier-Edelstein, P. Graf, and A. Nitzan, J. Chem. Phys. JCPSA6108, 9598 (1998).en_US
dc.identifier.citedreferenceK. F. Everitt, J. L. Skinner, and B. M. Ladanyi, J. Chem. Phys. JCPSA6116, 179 (2002).en_US
dc.identifier.citedreferenceP. H. Berens, S. R. White, and K. R. Wilson, J. Chem. Phys. JCPSA675, 515 (1981).en_US
dc.identifier.citedreferenceL. Frommhold, Collision-Induced Absorption in Gases, Vol. 2, in Cambridge Monographs on Atomic, Molecular, and Chemical Physics, 1st ed. (Cambridge University Press, England, 1993).en_US
dc.identifier.citedreferenceJ. L. Skinner, J. Chem. Phys. JCPSA6107, 8717 (1997).en_US
dc.identifier.citedreferenceS. C. An, C. J. Montrose, and T. A. Litovitz, J. Chem. Phys. JCPSA664, 3717 (1976).en_US
dc.identifier.citedreferenceP. Schofield, Phys. Rev. Lett. PRLTAO4, 239 (1960).en_US
dc.identifier.citedreferenceP. A. Egelstaff, Adv. Phys. ADPHAH11, 203 (1962).en_US
dc.identifier.citedreferenceG. R. Kneller, Mol. Phys. MOPHAM83, 63 (1994).en_US
dc.identifier.citedreferenceJ. Larsen et al., J. Chem. Phys. JCPSA6116, 7997 (2002).en_US
dc.identifier.citedreferenceE. Geva, Q. Shi, and G. A. Voth, J. Chem. Phys. JCPSA6115, 9209 (2001).en_US
dc.identifier.citedreferenceT. Yamamoto, J. Chem. Phys. JCPSA633, 281 (1960).en_US
dc.identifier.citedreferenceW. H. Miller, J. Chem. Phys. JCPSA661, 1823 (1974).en_US
dc.identifier.citedreferenceW. H. Miller, S. D. Schwartz, and J. W. Tromp, J. Chem. Phys. JCPSA679, 4889 (1983).en_US
dc.identifier.citedreferenceW. H. Miller, J. Phys. Chem. A JPCAFH102, 793 (1998).en_US
dc.identifier.citedreferenceB. B. Laird, J. Budimir, and J. L. Skinner, J. Chem. Phys. JCPSA694, 4391 (1991).en_US
dc.owningcollnamePhysics, Department of


Files in this item

Name:
JCPSA6-118-16-7562-1.pdf
Size:
127.7KB
Format:
PDF
View/Open

Show simple item record

Remediation of Harmful Language

The University of Michigan Library aims to describe library materials in a way that respects the people and communities who create, use, and are represented in our collections. Report harmful or offensive language in catalog records, finding aids, or elsewhere in our collections anonymously through our metadata feedback form. More information at Remediation of Harmful Language.

Accessibility

If you are unable to use this file in its current format, please select the Contact Us link and we can modify it to make it more accessible to you.