Ilya Prigogine, Stuart A. Rice's Advances in Chemical Physics, Vol. 121 PDF

By Ilya Prigogine, Stuart A. Rice

ISBN-10: 0471205044

ISBN-13: 9780471205043

The Advances in Chemical Physics sequence offers the chemical physics box with a discussion board for severe, authoritative reviews of advances in each quarter of the self-discipline. quantity 121 includes the most recent examine on polymer melts at sturdy surfaces, infrared lineshapes of susceptible hydrogen bonds, ab initio quantum molecular dynamics, and lots of different topics.

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In summary, we obtain d^ r i ^ ^r ^Š À À^ ¼ À ½H 0; r dt h " ð4:22Þ 47 ultrafast dynamics and spectroscopy ^ is damping operator, and where À draa drbb ¼ Àga raa ; ¼ Àgb rbb dt dt drab 1 ¼ Àðioab þ gab Þrab ; gab ¼ ðga þ gb Þ 2 dt ð4:23Þ ð4:24Þ To show the importance of the damping operator, we apply the effective Hamiltonian to optical absorption. In this case, we have ^ ¼H ^ 0 þ VðtÞ ^ H ð4:25Þ ^ denotes the interaction between the system and radiation field: where VðtÞ ^ ¼ À~ VðtÞ mÁ~ EðtÞ ð4:26Þ Here ~ m is dipole operator and ~ EðtÞ is electric field in optical radiation.

1, Eq. m ¼ 2 ð3:21Þ  dðomk Þ H þ hokn  " h m  mk " m n B. Electron and Energy Transfers In the study of the ultrafast dynamics of photosynthetic bacterial reaction centers, we are concerned with the photoinduced electron transfer [72] "ho DA À! DÃ A ! Dþ AÀ ð3:22Þ and energy transfer "ho DA À! DÃ A ! DAÃ ð3:23Þ ultrafast dynamics and spectroscopy 27 Figure 10. Vibronic levels of an electron transfer system. Here the initial electronic state is the DÃ A state and the final electronic state is the Dþ AÀ charge separation state.

F ¼ X X Y 2p o‘ 0 0 0 0 jR‘ ðfiÞj2 Pi jhwf 0j jwij ij2 h 2"h "  j 0 0 0  ½" ‘ dðÀ" ho‘ þ Ef0  0 À Ei Þ þ ð" ‘ þ 1Þdð"ho‘ þ Ef0  0 À Ei ފ ð3:76Þ For the displaced oscillator model, Eq. f ¼  ð1 1 o‘ 2 jR ð fiÞj dteitofi ½" ‘ eÀito‘ þ ð" ‘ þ 1Þeito‘ Š ‘ h h2 2" " À1 " # X Àitoj itoj 0  exp À Sj fð2" nj þ 1Þ À " nj e À ð"nj þ 1Þe g ð3:77Þ j It should be noted that usually " ho‘ =kT ) 1; at this limit, Eq. 76) or Eq. 77) reduces to X X Y 2p o‘ 2 0 0 0 0 0 jR ð fiÞj Pi jhwf  0j jwij ij2 dð"ho‘ þ Ef0  0 À Ei Þ ‘ 2 2" h h " 0  j   ð1 1 o‘ ¼ 2 jR‘ ð fiÞj2 dt exp itðofi þ o‘ Þ h h 2" " À1 !

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Advances in Chemical Physics, Vol. 121 by Ilya Prigogine, Stuart A. Rice

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