All Stories

  1. Modified vibrational perturbation theory as applied to the collinear H + H2 and D + H2 reactions
  2. A note on vibrational perturbation theory for tunneling splitting in a symmetric double well potential
  3. ℏ 4 quantum corrections to semiclassical transmission probabilities
  4. A personal perspective of the present status and future challenges facing thermal reaction rate theory
  5. Multidimensional uniform semiclassical instanton thermal rate theory
  6. ℏ2 expansion of the transmission probability through a barrier
  7. Coherent state representation of thermal correlation functions with applications to rate theory
  8. Self-consistent theory of lower bounds for eigenvalues
  9. Activated quantum diffusion in a periodic potential above the crossover temperature
  10. Instantaneous Tunneling Flight Time for Wavepacket Transmission through Asymmetric Barriers
  11. Quantum coherence in the reflection of above barrier wavepackets
  12. Tunneling Flight Time, Chemistry, and Special Relativity
  13. Scattering of He Atoms from a Microstructured Grating: Quantum Reflection Probabilities and Diffraction Patterns
  14. Quantum Tunneling: The Longer the Path, the Less Time it Takes
  15. Semiclassical initial value representation for the quantum propagator in the Heisenberg interaction representation
  16. Erratum: “Quantum dynamical simulation of the scattering of Ar from a frozen LiF(100) surface based on a first principles interaction potential” [J. Chem. Phys. 143, 014705 (2015)]
  17. A study of Kramers’ turnover theory in the presence of exponential memory friction
  18. Second order classical perturbation theory for the sticking probability of heavy atoms scattered on surfaces
  19. Quantum dynamical simulation of the scattering of Ar from a frozen LiF(100) surface based on a first principles interaction potential
  20. Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system
  21. Energy relaxation of a dissipative quantum oscillator
  22. Spin effects and the Pauli principle in semiclassical electron dynamics
  23. Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution
  24. Quantum Markovian master equation for scattering from surfaces
  25. On-the-fly semiclassical study of internal conversion rates of formaldehyde
  26. On the fly first principles study of the classical scattering of an Ar atom from the LiF(100) surface
  27. Communication: Optical cooling of trans-stilbene
  28. Improvements to Kramers turnover theory
  29. Communication: Semiclassical perturbation theory for the quantum diffractive scattering of atoms on thermal surfaces
  30. Quantum Variational Transition State Theory for Hydrogen Tunneling in Enzyme Catalysis
  31. Classical theory of atom–surface scattering: The rainbow effect
  32. Semiclassical perturbation theory for diffraction in heavy atom surface scattering
  33. Coherent control time-dependent methods for determining eigenvalues of Hermitian matrices with applications to electronic structure computations
  34. First-order corrections to semiclassical Gaussian partition functions for clusters of atoms
  35. Continuum limit frozen Gaussian approximation for the reduced thermal density matrix of dissipative systems
  36. Temperature dependence in atom–surface scattering
  37. Classical Stochastic Theory for the Sticking Probability of Atoms Scattered on Surfaces
  38. Semiclassical initial value representation study of internal conversion rates
  39. Renormalization of the frozen Gaussian approximation to the quantum propagator
  40. Imaginary time Gaussian dynamics of the Ar3 cluster
  41. Quantum and classical study of surface characterization by three-dimensional helium atom scattering
  42. Communication: Heavy atom quantum diffraction by scattering from surfaces
  43. Three dimensional classical theory of rainbow scattering of atoms from surfaces
  44. Determination of the Quantum Contribution to the Activated Motion of Hydrogen on a Metal Surface: H/Pt(111)
  45. Classical theory of rotational rainbow scattering from uncorrugated surfaces
  46. Comparison between different Gaussian series representations of the imaginary time propagator
  47. Friction-Induced Energy-Loss Rainbows in Atom Surface Scattering
  48. Erratum: “Classical theory for the in-plane scattering of atoms from corrugated surfaces: Application to the Ar–Ag(111) system” [J. Chem. Phys. 130, 194710 (2009)]
  49. Erratum: Rainbow scattering of argon from2H−W(100)[Phys. Rev. B80, 115404 (2009)]
  50. Erratum: Classical theory for asymmetric in-plane atom surface scattering [Phys. Rev. B80, 165420 (2009)]
  51. Generalized Liouville time-dependent perturbation theory
  52. Rainbow scattering of argon from2H-W(100)
  53. Frozen Gaussian series representation of the imaginary time propagator theory and numerical tests
  54. Semiclassical initial-value-representation study of helium scattering from Cu(110)
  55. Classical theory for the in-plane scattering of atoms from corrugated surfaces: Application to the Ar–Ag(111) system
  56. Semiclassical on-the-fly computation of the S0→S1 absorption spectrum of formaldehyde
  57. Observations on Rate Theory for Rugged Energy Landscapes
  58. Semiclassical initial value series representation in the continuum limit: Application to vibrational relaxation
  59. Classical Wigner theory of gas surface scattering
  60. Ab initiospectroscopy and photoinduced cooling of thetrans-stilbene molecule
  61. Effects of initial correlations on the dynamics of dissipative systems
  62. Momentum and Velocity Autocorrelation Functions of a Diatomic Molecule Are Not Necessarily Proportional to Each Other†
  63. Continuum limit semiclassical initial value representation for dissipative systems
  64. New coherent state representation for the imaginary time propagator with applications to forward-backward semiclassical initial value representations of correlation functions
  65. Semiclassical initial value series solution of the spin boson problem
  66. Dissipation can enhance quantum effects
  67. Frozen Gaussian Wavepacket Study of the Ground State of the He Atom
  68. Forward-backward semiclassical initial value series representation of quantum correlation functions
  69. A new time evolving Gaussian series representation of the imaginary time propagator
  70. Hamiltonian theory of stochastic acceleration
  71. Real-time dynamics in complex quantum systems
  72. Theory of coherent thermal photoinduced electron transfer reactions in polyatomic molecules
  73. The dynamics of activated surface diffusion
  74. Reaction rate theory: What it was, where is it today, and where is it going?
  75. Hybrid Prefactor Semiclassical Initial Value Series Representation of the Quantum Propagator
  76. Variational Iterative Time Dependent Method for Eigenvalues and Eigenfunctions of the Hamiltonian
  77. Continuum limit theory of absorption in the presence of dissipation
  78. Harmonic Theory of Thermal Two-Photon Absorption in Benzene
  79. Thawed semiclassical IVR propagators
  80. Coherent Classical-Path Description of Deep Tunneling
  81. Photoinduced Cooling of Polyatomic Molecules in an Electronically Excited State in the Presence of Dushinskii Rotations†
  82. A prefactor free semiclassical initial value series representation of the propagator
  83. Hamiltonian theory for vibrational line shapes of atoms adsorbed on surfaces
  84. Low temperature extension of the generalized Zusman phase space equations for electron transfer
  85. Theory of electron transfer in the presence of dissipation
  86. Optimization of the semiclassical initial value representation of the exact quantum-mechanical real time propagator
  87. Quantum and classical aspects of activated surface diffusion
  88. Systematic Improvement of Initial Value Representations of the Semiclassical Propagator†
  89. Kramers’ turnover theory for diffusion of Na atoms on a Cu(001) surface measured by He scattering
  90. Numerical solution methods for quantum stochastic processes
  91. Quantum dynamics for dissipative systems: A numerical study of the Wigner–Fokker–Planck equation
  92. Reducing Gaussian noise using distributed approximating functionals
  93. A study of the semiclassical initial value representation at short times
  94. Theory of fluorescence decay of naphthalene: Was photoinduced cooling observed experimentally?
  95. Mixed quantum classical rate theory for dissipative systems
  96. Theory of Cooling of Room Temperature Benzene upon Photo-Excitation to the S1State
  97. A note on quantum thermodynamic rate theories
  98. Control of thermal photoinduced electron transfer reactions in the activated and activationless regimes
  99. Theory and Control of Thermal Photoinduced Electron Transfer Reactions in Polyatomic Molecules†
  100. A mixed quantum classical rate theory for the collinear H+H2 reaction
  101. Quantum transition state theory for dissipative systems
  102. Comment on “Photoisomerization oftrans-Stilbene in Moderately Compressed Gases:  Pressure Dependent Effective Barriers” (J. Phys. Chem. A1999,103, 10528−10539)
  103. Dual propagation inversion of truncated signals
  104. Kramers turnover theory for bridges
  105. Controlling activated surface diffusion by external fields
  106. A test of quantum transition state theory for a system with two degrees of freedom
  107. Giant enhancement of diffusion and particle selection in rocked periodic potentials
  108. Multidimensional generalization of the Pollak–Grabert–Hänggi turnover theory for activated rate processes
  109. Microscopic and macroscopic estimates of friction: application to surface diffusion of copper
  110. Stable periodic orbits of the highly excited nonrotating H3+ molecular ion
  111. Transition-state recrossing dynamics in activated rate processes
  112. Relationship between variational transition state theory and the Rayleigh quotient method for activated rate processes
  113. Semiclassical theory of activated diffusion
  114. Yang-Mills classical mechanics revisited
  115. Activated rate processes: a multidimensional Kramers turnover theory
  116. Optimized planar dividing surfaces for asymmetric activated-rate processes
  117. Theory of correlated hops in surface diffusion
  118. A theory for the thermally activated rate constant in systems with spatially dependent friction
  119. Quantum variational transition state theory revisited
  120. Activated rate processes: Finite-barrier expansion for the rate in the spatial-diffusion limit
  121. Numerical test of finite-barrier corrections for the hopping rate in a periodic potential
  122. A numerical method for locating stable periodic orbits in chaotic systems
  123. Microcanonical variational transition-state theory for reaction rates in dissipative systems
  124. Variational transition-state theory for reaction rates in dissipative systems
  125. Quantum Kramers model: Solution of the turnover problem
  126. Numerical study of tunneling in a dissipative system
  127. Dissipative effects on highly excited quantum states of a model two-degree-of-freedom system
  128. Spectral analysis of conservative dynamical systems
  129. Sudden theory for tunneling in dissipative systems
  130. Semiclassical theory of hyperspherical vibrational resonances in ABA molecules
  131. Classical mechanical analysis of the experimental high-energy spectrum of the sodium trimer molecule
  132. Quantum mechanics of a classically chaotic system: Observations on scars, periodic orbits, and vibrational adiabaticity
  133. Local-mode dynamics of linear symmetric molecules in condensed phases
  134. Photodissociation dynamics of the D2H+ molecular ion
  135. Quasiclassical trajectory method for tunneling rates in the unimolecular decomposition of H3+
  136. Order out of chaos in the H3+ molecule
  137. Periodic orbit analysis of bend level structure of resonances in 3D H + H2 reactive scattering
  138. Transition state theory for quantum decay rates in dissipative systems: the high-temperature limit
  139. Transition-state theory for tunneling in dissipative media
  140. IR laser-induced resonance enhancement of reactivity of bimolecular collisions
  141. A model study of symmetric light atom transfer reactions
  142. Ab initio sudden transition state theory for the F + H2 and F + D2 reactions
  143. Thermal rate constants for the D + HH (n = 1) reaction: comparison of rotationally averaged quantal sudden theory and experimental rates
  144. A model for vibrational and translational energy accommodation of no molecules during scattering from a Pt(111) crystal surface
  145. Equivalence of vibrational sudden and vibrational adiabatic classical transition state theory
  146. Adiabatic—sudden transition in chemical reactions: Study of a model for H + H2 (ν =1)
  147. New Physical Interpretation for Time in Scattering Theory
  148. On spectroscopic properties and isotope effects of vibrationally stabilized molecules
  149. Vibrational bonding in light-heavy-light atom systems
  150. DO vibrationally adiabatic molecules exist in three dimensions
  151. A new possibility of chemical bonding: vibrational stabilization of IHI
  152. Density and flux analysis for the collinear H + H2, reaction
  153. An adiabatic analysis of quasiperiodic trajectories embedded in the continuum
  154. Low-temperature behaviour of water in nafion membranes
  155. Periodic orbits, adiabaticity and stability
  156. A classical mechanical study of the LiFH system
  157. A simple classical prediction of quantal resonances in collinear reactive scattering
  158. Isotope effects in the hydrogen exchange reaction
  159. Rotational surprisal plots for H + H2, a simple theory
  160. Vibrational energy consumption in endoergic atom diatom reactions
  161. Surprisal analysis of products' translational energy distribution in molecular collisions
  162. The different roles of reagent vibrational excitation for endothermic and exothermic reactions
  163. Translational energy disposal in molecular collisions: The transfer of momentum constraint
  164. Bounds for transition probabilities in collision theory