K. BIRGITTA WHALEY, PhD, received her bachelor's degree from the University of Oxford and doctorate from the University of Chicago, following a John F. Kennedy fellowship at Harvard. She undertook postdoctoral work at the University of Tel Aviv and the Hebrew University of Jerusalem before joining the faculty of the University of California, Berkeley in 1986, where she is currently co-Director of the Berkeley Quantum Information and Computation Center, and Faculty Scientist at Lawrence Berkeley National Laboratory. STUART A. RICE, PhD, received his bachelor's degree from Brooklyn college and his master's degree and doctorate from Harvard University. He was a junior fellow at Harvard for two years before joining the faculty of The University of Chicago in 1957, where he is currently the Frank P. Hixon Distinguished Service Professor Emeritus. AARON R. DINNER, PhD, received his bachelor's degree and doctorate from Harvard University, after which he conducted postdoctoral research at the University of Oxford and the University of California, Berkeley. He joined the faculty at The University of Chicago in 2003.

• List of Contributors Volume 163 ixForeword xiPreface to the Series xiiiApplications of Quantum Statistical Methods to the Treatment of Collisions 1Paul J. Dagdigian and Millard H. AlexanderQuantum Dynamics in Photodetachment of Polyatomic Anions 45Jianyi Ma and Hua GuoRecent Advances in Quantum Dynamics Studies of Gas-Surface Reactions 77Xiangjian Shen and Dong H. ZhangQuantum Scattering and Semiclassical Transition State Theory Calculations on Chemical Reactions of Polyatomic Molecules in Reduced Dimensions 117Samuel M. Greene, Xiao Shan, and David C. ClaryAdiabatic Switching Applied to the Vibrations of syn-CH3CHOO and Implications for “Zero-Point Leak” and Isomerization in Quasiclassical Trajectory Calculations 151Chen Qu, Apurba Nandi, and Joel M. BowmanInelastic Charge-Transfer Dynamics in Donor–Bridge–Acceptor Systems Using Optimal Modes 167Xunmo Yang, Andrey Pereverzev, and Eric R BittnerCoupled Translation–Rotation Dynamics of H2 and H2O Inside C60: Rigorous Quantum Treatment 195Zlatko Bacic, Minzhong Xu, and Peter M. FelkerUsing Iterative Eigensolvers to Compute Vibrational Spectra 217Tucker Carrington Jr.Large Scale Exact Quantum Dynamics Calculations: Using Phase Space to Truncate the Basis Effectively 245Bill PoirierPhase-Space Versus Coordinate-Space Methods: Prognosis for Large Quantum Calculations 273David Tannor, Shai Machnes, Elie Assémat, and Henrik R. LarssonIndex 325

K. BIRGITTA WHALEY, PhD, received her bachelor's degree from the University of Oxford and doctorate from the University of Chicago, following a John F. Kennedy fellowship at Harvard. She undertook postdoctoral work at the University of Tel Aviv and the Hebrew University of Jerusalem before joining the faculty of the University of California, Berkeley in 1986, where she is currently co-Director of the Berkeley Quantum Information and Computation Center, and Faculty Scientist at Lawrence Berkeley National Laboratory. STUART A. RICE, PhD, received his bachelor's degree from Brooklyn college and his master's degree and doctorate from Harvard University. He was a junior fellow at Harvard for two years before joining the faculty of The University of Chicago in 1957, where he is currently the Frank P. Hixon Distinguished Service Professor Emeritus. AARON R. DINNER, PhD, received his bachelor's degree and doctorate from Harvard University, after which he conducted postdoctoral research at the University of Oxford and the University of California, Berkeley. He joined the faculty at The University of Chicago in 2003.

• List of Contributors Volume 163 ixForeword xiPreface to the Series xiiiApplications of Quantum Statistical Methods to the Treatment of Collisions 1Paul J. Dagdigian and Millard H. AlexanderQuantum Dynamics in Photodetachment of Polyatomic Anions 45Jianyi Ma and Hua GuoRecent Advances in Quantum Dynamics Studies of Gas-Surface Reactions 77Xiangjian Shen and Dong H. ZhangQuantum Scattering and Semiclassical Transition State Theory Calculations on Chemical Reactions of Polyatomic Molecules in Reduced Dimensions 117Samuel M. Greene, Xiao Shan, and David C. ClaryAdiabatic Switching Applied to the Vibrations of syn-CH3CHOO and Implications for “Zero-Point Leak” and Isomerization in Quasiclassical Trajectory Calculations 151Chen Qu, Apurba Nandi, and Joel M. BowmanInelastic Charge-Transfer Dynamics in Donor–Bridge–Acceptor Systems Using Optimal Modes 167Xunmo Yang, Andrey Pereverzev, and Eric R BittnerCoupled Translation–Rotation Dynamics of H2 and H2O Inside C60: Rigorous Quantum Treatment 195Zlatko Bacic, Minzhong Xu, and Peter M. FelkerUsing Iterative Eigensolvers to Compute Vibrational Spectra 217Tucker Carrington Jr.Large Scale Exact Quantum Dynamics Calculations: Using Phase Space to Truncate the Basis Effectively 245Bill PoirierPhase-Space Versus Coordinate-Space Methods: Prognosis for Large Quantum Calculations 273David Tannor, Shai Machnes, Elie Assémat, and Henrik R. LarssonIndex 325

K. BIRGITTA WHALEY, PhD, received her bachelor's degree from the University of Oxford and doctorate from the University of Chicago, following a John F. Kennedy fellowship at Harvard. She undertook postdoctoral work at the University of Tel Aviv and the Hebrew University of Jerusalem before joining the faculty of the University of California, Berkeley in 1986, where she is currently co-Director of the Berkeley Quantum Information and Computation Center, and Faculty Scientist at Lawrence Berkeley National Laboratory. STUART A. RICE, PhD, received his bachelor's degree from Brooklyn college and his master's degree and doctorate from Harvard University. He was a junior fellow at Harvard for two years before joining the faculty of The University of Chicago in 1957, where he is currently the Frank P. Hixon Distinguished Service Professor Emeritus. AARON R. DINNER, PhD, received his bachelor's degree and doctorate from Harvard University, after which he conducted postdoctoral research at the University of Oxford and the University of California, Berkeley. He joined the faculty at The University of Chicago in 2003.

• List of Contributors Volume 163 ixForeword xiPreface to the Series xiiiApplications of Quantum Statistical Methods to the Treatment of Collisions 1Paul J. Dagdigian and Millard H. AlexanderQuantum Dynamics in Photodetachment of Polyatomic Anions 45Jianyi Ma and Hua GuoRecent Advances in Quantum Dynamics Studies of Gas-Surface Reactions 77Xiangjian Shen and Dong H. ZhangQuantum Scattering and Semiclassical Transition State Theory Calculations on Chemical Reactions of Polyatomic Molecules in Reduced Dimensions 117Samuel M. Greene, Xiao Shan, and David C. ClaryAdiabatic Switching Applied to the Vibrations of syn-CH3CHOO and Implications for “Zero-Point Leak” and Isomerization in Quasiclassical Trajectory Calculations 151Chen Qu, Apurba Nandi, and Joel M. BowmanInelastic Charge-Transfer Dynamics in Donor–Bridge–Acceptor Systems Using Optimal Modes 167Xunmo Yang, Andrey Pereverzev, and Eric R BittnerCoupled Translation–Rotation Dynamics of H2 and H2O Inside C60: Rigorous Quantum Treatment 195Zlatko Bacic, Minzhong Xu, and Peter M. FelkerUsing Iterative Eigensolvers to Compute Vibrational Spectra 217Tucker Carrington Jr.Large Scale Exact Quantum Dynamics Calculations: Using Phase Space to Truncate the Basis Effectively 245Bill PoirierPhase-Space Versus Coordinate-Space Methods: Prognosis for Large Quantum Calculations 273David Tannor, Shai Machnes, Elie Assémat, and Henrik R. LarssonIndex 325