All Stories

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