Gregory S. EZRA
Publications


  1. On the symmetry properties of nonrigid molecules: a unified approach,
    G.S. Ezra, Mol. Phys. 38, 863-875 (1979).

  2. On the symmetry properties of nonrigid molecules: semifactorizability of the isometric group,
    G.S. Ezra, Mol. Phys. 43, 773-783 (1981).

  3. Symmetry properties of molecules,
    G.S. Ezra, Lecture Notes in Chemistry 28 (Springer, 1982).

  4. Symmetry properties of nonrigid molecules,
    G.S. Ezra, in: Proc. Bielefeld Conf. Molecular Structure, Rigidity and Potential Energy Surfaces, 1980, Ed. J. Hinze (Plenum, 1983).

  5. The semidirect product structure of nonrigid molecule symmetry groups,
    G.S. Ezra, in: Proc. Intl. Conf. Symmetry and Properties of Nonrigid Molecules, Ed. J. Maruani (Elsevier, 1983).

  6. Electron correlation and Kellman-Herrick quantization in doubly-excited Helium,
    H.J. Yuh, G. Ezra, P. Rehmus and R.S. Berry, Phys. Rev. Lett. 47, 497-500 (1981).

  7. Correlation of two particles on a sphere,
    G.S. Ezra and R.S. Berry, Phys. Rev. A 25, 1513-1527 (1982).

  8. Correlation diagrams for rigid and nonrigid five-body and XY_5 six-body systems,
    G.S. Ezra and R.S. Berry, J. Chem. Phys. 76, 3679-3691 (1982).

  9. Collective and independent particle motion in simple atoms and molecules: a unification,
    R.S. Berry, G.S. Ezra and G.A. Natanson, in: Proc. 4th Intl. Cong. Quantum Chem. 1982 (Reidel, 1983).

  10. Collective and independent-particle motion in doubly-excited two-electron atoms,
    G.S. Ezra and R.S. Berry, Phys. Rev. A 28, 1974-1988 (1983).

  11. The quantum states of two particles on concentric spheres,
    G.S. Ezra and R.S. Berry, Phys. Rev. A 28, 1989-2000 (1983).

  12. Comment on: `Classification of doubly-excited states of two-electron atoms' ,
    G.S. Ezra and R.S. Berry, Phys. Rev. Lett. 52, 1252-1253 (1984).

  13. Calculation of rovibrational spectra of water by means of particles-on-concentric-spheres models. I. Ground stretching vibrational state,
    G.A. Natanson, G.S. Ezra, G. Delgado-Barrio and R.S. Berry, J. Chem. Phys. 81, 3400-3406 (1984).

  14. Calculation of rovibrational spectra of water by means of particles-on-concentric-spheres models. II. Excited stretching vibrational states,
    G.A. Natanson, G.S. Ezra, G. Delgado-Barrio and R.S. Berry, J. Chem. Phys. 84, 2035-2044 (1986).

  15. The adiabatic approximation for coupled oscillators,
    G.S. Ezra, Chem. Phys. Lett. 101, 259-264 (1983).

  16. The role of near-resonant intermediate states in two-photon excitation NO_2: origin bands in bent-to-linear transitions,
    R.S. Tapper, R.L. Whetten, G.S. Ezra and E.R. Grant, J. Phys. Chem. 88, 1273-1275 (1984).

  17. A simple method for determining the number of isolating integrals in multidimensional systems: computation of the pointwise dimension,
    C.C. Martens and G.S. Ezra, Chem. Phys. Lett. 108, 573-579 (1984).

  18. Molecular dynamics beyond the adiabatic approximation: new experiments and theory,
    R.L. Whetten, G.S. Ezra and E.R. Grant, Ann. Rev. Phys. Chem. 36, 277-320 (1985).

  19. Semiclassical eigenvalues for a nonadiabatic system,
    J. Zwanziger, R.L. Whetten, G.S. Ezra and E.R. Grant, Chem. Phys. Lett. 120, 106-112 (1985).

  20. EBK quantization of nonseparable systems: a Fourier transform method,
    C.C. Martens and G.S. Ezra, J. Chem. Phys. 83, 2990-3001 (1985).

  21. Intramolecular dynamics and multiresonant absorption spectroscopy. II. Power broadening and superposition states in double resonant two-photon excitation,
    L. Bigio, G.S. Ezra and E.R. Grant, J. Chem. Phys. 83, 5369-5379 (1985).

  22. Nonadiabatic interactions in the photodissociation of ICN,
    E.M. Goldfield, P.L. Houston and G.S. Ezra, J. Chem. Phys. 84, 3120-3129 (1986).

  23. Rotation-vibration separability in the classical motion of triatomics,
    J. Santamaria, G. Alvarez Galindo, R. Escribano and G.S. Ezra, J. Mol. Struct. 142, 259-532 (1986).

  24. Interaction between bending vibrations and molecular rotations: a model study,
    G.S. Ezra, Chem. Phys. Lett. 127, 492-500 (1986).

  25. Semiclassical quantization of a classical analogue for the Jahn-Teller E x e system,
    J. Zwanziger, E.R. Grant and G.S. Ezra, J. Chem. Phys. 85, 2089-2098 (1986).

  26. Uniform quantization of multidimensional systems,
    C.C. Martens and G.S. Ezra, in: Proc. 19th Jerusalem Symp. Quantum Chem., Tunnelling, Ed. J. Jortner and B. Pullman (Reidel, 1986).

  27. Semiclassical mechanics of strongly resonant systems: a Fourier transform approach,
    C.C. Martens and G.S. Ezra, J. Chem. Phys. 86, 279-307 (1987).

  28. PERTURB: a special-purpose algebraic manipulation program for classical perturbation theory,
    L. Fried and G.S. Ezra, J. Comp. Phys. 8, 397-411 (1987).

  29. Semiclassical quantization using perturbation theory: algebraic quantization of multidimensional systems,
    L. Fried and G.S. Ezra, J. Chem. Phys. 86, 6270-6282 (1987).

  30. Classical, quantum mechanical and semiclassical representations of resonant dynamics: a unified treatment,
    C.C. Martens and G.S. Ezra, J. Chem. Phys. 87, 284-301 (1987).

  31. Semiclassical quantization of polyatomic molecules: some recent developments,
    G.S. Ezra, C.C. Martens and L.E. Fried, J. Phys. Chem. (Invited Feature Article) 91, 3721-3730 (1987).

  32. Semiclassical vibrational transition frequencies for a Hamiltonian with stretch-bend potential energy coupling: application of Fourier methods,
    A. Garcia-Ayllon, C.C. Martens, J. Santamaria and G.S. Ezra, J. Chem. Phys. 87, 6609-6617 (1987).

  33. Semiclassical rotation-vibration energies for a triatomic molecule: H_2O,
    B.G. Sumpter and G.S. Ezra, Chem. Phys. Lett. 142, 142-146 (1987).

  34. Local frequency analysis of chaotic motion in multidimensional systems: energy transport and bottlenecks in planar OCS,
    C.C. Martens, M.J. Davis and G.S. Ezra, Chem. Phys. Lett. 142, 519-528 (1987).

    A longer unpublished (1989) paper, taken from the Ph.D. Thesis of C. C. Martens, on Local Frequency Analysis (LFA) applied to the dynamics of a three-dimensional model Hamiltonian for OCS and four-dimensional coupled standard maps, is also available: C.C. Martens, M. J. Davis and G. S. Ezra, "Pathways for Energy Redistribution and Phase Space Bottlenecks in Many-dimensional systems", unpublished manuscript (1989).

  35. Generalized algebraic quantization: corrections to arbitrary order in \hbar,
    L.E. Fried and G.S. Ezra, J. Phys. Chem. 92, 3144-3154 (1988).

  36. PERTURB: A program for calculation of vibrational energies using generalized algebraic quantization,
    L.E. Fried and G.S. Ezra, Comp. Phys. Comm. 51, 103-114 (1988) [Invited contribution to Special Issue on Molecular Vibrations].

  37. Sensitivity of IVR to stretch-bend potential energy coupling and stability of periodic orbits,
    A. Garcia-Ayllon, J. Santamaria and G.S. Ezra, J. Chem. Phys. 89, 801-811 (1988).

  38. Coupling of molecular rotation with large-amplitude internal motions: a rigid twister model for hydrogen peroxide,
    B.G. Sumpter, C.C. Martens and G.S. Ezra, J. Phys. Chem. 92, 7193-7204 (1988).

  39. Avoided crossings and resummation of nearly resonant molecular vibrations: reconstruction of an effective secular equation,
    L.E. Fried and G.S. Ezra, J. Chem. Phys. 90, 6378-6390 (1989).

  40. Unimolecular decay lifetimes and intramolecular energy redistribution in HOOH: sensitivity to potential energy surface,
    C. Getino, B.G. Sumpter, J. Santamaria and G.S. Ezra, J. Phys. Chem. 93, 3877-3880 (1989).

  41. Comparison of classical and quantum phase space structure of nonrigid molecules: LiCN,
    R.M. Benito, F. Borondo, J.H. Kim, B.G. Sumpter and G.S. Ezra, Chem. Phys. Lett. 161, 60-66 (1989).

  42. Ab initio study of stretch-bend coupling in HOOH,
    C. Getino, B.G. Sumpter, J. Santamaria and G.S. Ezra, J. Phys. Chem. 94, 3995-4000 (1990).

  43. Turnstiles, transport and unimolecular decay in multidimensional Hamiltonian maps: application to van der Waals predissociation,
    R.E. Gillilan and G.S. Ezra, J. Chem. Phys. 94, 2648-2668 (1991).

  44. Periodic orbits and the classical-quantum correspondence for doubly-excited states of two-electron atoms,
    J.H. Kim and G.S. Ezra, Proc. Trieste Workshop Quantum Chaos, pp 436-448, Ed. H. Caldiera, M. Gutzwiller and R. Ramaswamy (World Scientific, 1991).

    This short paper, rejected by Physical Review Letters in 1990, presented the first results on application of Gutzwiller periodic orbit theory to the analysis of computed doubly-excited states of 2-electron systems. The semiclassical periodic orbit analysis of the quantum mechanical density of states for the collinear Helium model treated in the paper provided a clear refutation of the then-prevailing dogma associating intrashell doubly-excited states with excitation of the symmetric stretch (r1 = r2) Wannier ridge mode. Further details of both the classical mechanical study of the 3-body problem and the quantum calculations mentioned in the paper are given in the unpublished Cornell Ph.D. thesis of J-H. Kim (1993). For subsequent developments, see the following paper (#45), also: G. Tanner, K. Richter and J. M. Rost, "The theory of two-electron atoms: between ground state and complete fragmentation", Rev. Mod. Phys. 72, 497-544 (2000).

  45. Semiclassical cycle expansion for the Helium atom,
    G.S. Ezra, K. Richter, G. Tanner and D. Wintgen, J. Phys. B 24, L413-L420 (1991).

  46. Classical trajectory studies of intramolecular dynamics: local mode dynamics, rotation-vibration interaction and the structure of multidimensional phase space,
    G.S. Ezra, in Intramolecular Dynamics and Nonlinear Dynamics, pp 1-40, Ed. W.L. Hase (JAI Press, 1992).

  47. Vibrational deactivation in planar ion-neutral collisions: a classical trajectory study of the fixed-angle approximation,
    G. Ramachandran and G.S. Ezra, Chem. Phys. Lett. 199, 397-402 (1992).

  48. Vibrational deactivation in Kr/O_2+ collisions: role of complex formation and potential anisotropy,
    G. Ramachandran and G.S. Ezra, J. Chem. Phys. 97, 6322-6334 (1992).

  49. Vibrationally induced axis switching: a novel mechanism for vibration-rotation coupling,
    H. Li, G.S. Ezra and L.A. Philips, J. Chem. Phys. 97, 5956-5963 (1992).

  50. Semiclassical density of states at symmetric pitchfork bifurcations in coupled quartic oscillators,
    K.M. Atkins and G.S. Ezra, Phys. Rev. A 50, 93-97 (1994).

  51. A regularized semiclassical radial propagator for the Coulomb potential,
    R. Manning and G.S. Ezra, Phys. Rev. A 50, 954-966 (1994).

  52. Direct and complex forming collisions in a model for the barrierless proton transfer reaction: CH_3OH + -OCH_3 --> CH_3O- + HOCH_3,
    R.J. Hinde and G.S. Ezra, Chem. Phys. Lett. 228, 333-340 (1994).

  53. Orbiting complex formation in Na^+/N_2 collisions: a phase space view [Invited contribution to S. Rice issue],
    G. Ramachandran and G.S. Ezra, J. Phys. Chem. 99, 2435-2443 (1995).

  54. Classical-quantum correspondence and the transition from regular to chaotic dynamics in coupled quartic oscillators,
    K.M. Atkins and G.S. Ezra, Phys. Rev. E 51, 1822-1837 (1995).

  55. Periodic orbit analysis of molecular vibrational spectra: 1:1 resonant coupled modes,
    D.C. Rouben and G.S. Ezra, J. Chem. Phys. 103, 1375-1383 (1995).

  56. Periodic orbit analysis of molecular vibrational spectra: Spectral patterns and dynamical bifurcations in Fermi resonant systems,
    G.S. Ezra, J. Chem. Phys. 104, 26-35 (1996).

  57. A uniform regularized semiclassical propagator for the 1/x^2 potential,
    R. Manning and G.S. Ezra, Phys. Rev. A 53, 661 (1996).

  58. Analysis of quantum eigenstates in a 3-mode system,
    S. Keshavamurthy and G.S. Ezra, Proc. NATO ASI "Hamiltonian Systems with Three or More Degrees of Freedom", Ed. by C. Simo, p 435-439 (1999).

  59. Assigning vibrational spectra of highly-excited molecules: Classical and quantum vibrational dynamics of the H_{2}O molecule,
    S. Keshavamurthy and G.S. Ezra, Chem. Phys. Lett. 259, 81-90 (1996).

  60. Eigenstate assignments and the quantum-classical correspondence for highly-excited states of the Baggot H_{2}O Hamiltonian,
    S. Keshavamurthy and G.S. Ezra, J. Chem. Phys. 107, 156-179 (1997).

  61. Classical-quantum correspondence and the analysis of highly excited states: Periodic orbits, rational tori, and beyond,
    G.S. Ezra, Chapter in Advances in Classical Trajectory Methods , Vol. 3, pp 35-72, edited by W.L. Hase (JAI Press, 1998).

  62. Comment on `Local Frequency analysis and the structure of classical phase space of the LiNC/LiCN molecular system'
    [J. Chem. Phys. 108, 63 (1998)],
    C.C. Martens, M.J. Davis and G.S. Ezra, J. Chem. Phys. 109, 6507 (1998).

  63. Global analysis of periodic orbit bifurcations in coupled Morse systems: Time-reversal symmetry, permutational representations and codimension-2 collisions,
    M. Tsuchiya and G.S. Ezra, CHAOS 9, 819-840 (1999).

  64. Geometric approach to response theory in non-Hamiltonian systems,
    G. S. Ezra, J. Math. Chem. 32, 339-359 (2002).

    "Differential forms are taking over the world. I don't use vectors, Fortran, or Roman numerals, all for the same reasons." (W. Burke)

  65. On the statistical mechanics of non-Hamiltonian systems: the generalized Liouville equation, entropy, and time-dependent metrics,
    G. S. Ezra, J. Math. Chem. 35, 29-53 (2004).

    "What can you prove with exterior algebra that you cannot prove without it? Whenever you hear this question ... be assured that you are likely to be in the presence of something important." (G-C. Rota)

  66. Optical response functions with semiclassical dynamics,
    W. G. Noid, G. S. Ezra, and R. F. Loring, J. Chem. Phys. 119 , 1003-1020 (2003).

  67. Vibrational echoes: Dephasing, rephasing, and the stability of classical trajectories,
    W. G. Noid, G. S. Ezra, and R. F. Loring, J. Phys. Chem. B 108, 6536-6543 (2004).

  68. Semiclassical calculation of the vibrational echo,
    W. G. Noid, G. S. Ezra, and R. F. Loring, J. Chem. Phys. 120, 1491-1499 (2004).

  69. Quantum monodromy for diatomic molecules in combined electrostatic and pulsed nonresonant laser fields,
    C. A. Arango, W. W. Kennerly, and G. S. Ezra, Chem. Phys. Lett. 392, 486-492 (2004).

  70. Quantum and classical mechanics of diatomic molecules in tilted fields,
    C. A. Arango, W. W. Kennerly, and G. S. Ezra, J. Chem. Phys. 122, Art. No. 184303 (2005).

  71. Semiclassical IVR approach to rotational excitation of nonpolar diatomic molecules by nonresonant laser pulses,
    C. A. Arango, W. W. Kennerly, and G. S. Ezra, Chem. Phys. Lett. 420, 296-303 (2006).

  72. On the derivation of the Herman-Kluk propagator,
    S. A. Deshpande and G. S. Ezra, J. Phys. A39, 5067-5078 (2006).

  73. Reversible measure-preserving integrators for non-Hamiltonian systems,
    G. S. Ezra, J. Chem. Phys. 125, Art. No. 034104 (2006).

  74. Quantum state reconstruction for rigid rotors,
    S. A. Deshpande and G. S. Ezra, Chem. Phys. Lett. 440, 341-347 (2007).

  75. Classical mechanics of dipolar asymmetric top molecules in collinear static electric and nonresonant linearly polarized laser fields:
    energy-momentum diagrams, bifurcations and accessible configuration space
    ,
    C. A. Arango and G. S. Ezra, Int. J. Bifurc. Chaos 18, 1127-1149 (2008).

  76. Fragmentation kinetics of a Morse oscillator chain under tension,
    J. N. Stember and G. S. Ezra, Chem. Phys. 337, 11-32 (2007)

  77. Impenetrable barriers in phase space for deterministic thermostats,
    G. S. Ezra and S. Wiggins, J. Phys. A (Fast Track Communication) 42, 042001 (2009)

  78. Microcanonical rates, gap times, and phase space dividing surfaces,
    G. S. Ezra, H. Waalkens and S. Wiggins, J. Chem. Phys.130, 164118 (2009)

  79. Phase space geometry and reaction dynamics near index two saddles,
    G. S. Ezra and S. Wiggins, J. Phys. A 42, 205101 (2009)

  80. Bulgac-Kusnezov-Nos\'e-Hoover thermostats,
    A. Sergi and G. S. Ezra, Phys. Rev. E 81, 036705 (2010) [cond-mat arXiv:1002.0657]

  81. Phase space structure and dynamics for the Hamiltonian isokinetic thermostat,
    P. Collins, G. S. Ezra and S. Wiggins, J. Chem. Phys. 133, 014105 (2010) [cond-mat arXiv:1004.4294]

  82. Isomerization kinetics of a strained Morse oscillator ring,
    J. N. Stember and G. S. Ezra, Chem. Phys. 381, 80-87 (2011)

  83. Algorithms for non-Hamiltonian dynamics,
    A. Sergi and G. S. Ezra, Atti Accad. Pelorit. Pericol. Cl. Sci. Fis. Mat. Nat., Vol. LXXXVIII, No. 2, C1C1002002 (2010)

  84. Phase space barriers and dividing surfaces in the absence of critical points of the potential energy,
    G. S. Ezra and S. Wiggins, preprint [chem-ph arXiv:1011.0913]

  85. Index k saddles and dividing surfaces in phase space, with applications to isomerization dynamics,
    P. Collins, G. S. Ezra and S. Wiggins, J. Chem. Phys. 134, 244105 (2011) [cond-mat.stat-mech arXiv:1104.1343v1]
    [AIP Abstract][DOI: 10.1063/1.3602465]

  86. Isomerization dynamics of a buckled nanobeam,
    P. Collins, G. S. Ezra and S. Wiggins, Phys. Rev. E 86 , 056218 (2012) [arXiv:1206.3929v1 [math-ph]]

  87. Bond breaking in a Morse chain under tension: fragmentation patterns, higher index saddles and bond healing,
    F. A. L. Mauguiere, P. Collins, G. S. Ezra and S. Wiggins, J. Chem. Phys. 138,134118 (2013) [arXiv:1212.2663v1 [nlin.CD]]
    [AIP Abstract][DOI: 10.1063/1.4798641]

  88. Bifurcations of Normally Hyperbolic Invariant Manifolds in Analytically Tractable Models and Consequences for Reaction Dynamics,
    F. A. L. Mauguiere, P. Collins, G. S. Ezra and S. Wiggins, Int. J. Bifurc. Chaos 23, 1330043 (2013) [arXiv:1304.3947v1 [phys.chem-ph]]

  89. Multiple Transition States and Roaming in Ion-Molecule Reactions: a Phase Space Perspective,
    F. A. L. Mauguiere, P. Collins, G. S. Ezra, S. C. Farantos and S. Wiggins, Chem. Phys. Lett. 592282-287 (2014) [arXiv:1309.6432v1 [phys.chem-ph]]

  90. Nonstatistical dynamics on potentials exhibiting reaction path bifurcations and valley-ridge inflection points,
    P. Collins, B. K. Carpenter, G. S. Ezra and S. Wiggins, J. Chem. Phys. 139:154108 (2013) [arXiv:1309.6763v1 [phys.chem-ph]]
    [AIP Abstract][DOI:10.1063/1.4825155]

  91. Roaming dynamics in ion-molecule reactions: phase space reaction pathways and geometrical interpretation,
    F. A. L. Mauguiere, P. Collins, G. S. Ezra, S. C. Farantos and S. Wiggins, (J. Chem. Phys, in press, 2014) [arXiv:1402.0012v1 [phys.chem-ph]]

  92. Roaming dynamics in Ketene isomerization,
    F. A. L. Mauguiere, P. Collins, G. S. Ezra, S. C. Farantos and S. Wiggins, (submitted) [arXiv:1403.6520v1 [phys.chem-ph]]

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