- On the symmetry properties of nonrigid molecules:
a unified approach,
G.S. Ezra, Mol. Phys. 38, 863-875 (1979).
- On the symmetry properties of nonrigid molecules:
semifactorizability of the isometric group,
G.S. Ezra, Mol. Phys.
43, 773-783 (1981).
- Symmetry properties of molecules,
G.S. Ezra,
Lecture Notes in Chemistry 28 (Springer, 1982).
- 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).
- 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).
- 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).
- Correlation of two particles on
a sphere,
G.S. Ezra and R.S. Berry,
Phys. Rev. A 25, 1513-1527 (1982).
- 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).
- 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).
- 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).
- The quantum states of two particles
on concentric spheres,
G.S. Ezra and R.S. Berry,
Phys. Rev. A 28, 1989-2000 (1983).
- 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).
- 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).
- 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).
- The adiabatic approximation for coupled oscillators,
G.S. Ezra,
Chem. Phys. Lett. 101, 259-264 (1983).
- 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).
- 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).
- 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).
- 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).
- EBK quantization of nonseparable
systems: a Fourier transform method,
C.C. Martens and G.S. Ezra,
J. Chem. Phys. 83,
2990-3001 (1985).
- 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).
- Nonadiabatic
interactions in the photodissociation of ICN,
E.M. Goldfield, P.L. Houston and G.S. Ezra,
J. Chem. Phys. 84, 3120-3129 (1986).
- 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).
- Interaction between bending vibrations and molecular
rotations: a model study,
G.S. Ezra,
Chem. Phys. Lett. 127, 492-500 (1986).
- 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).
- 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).
- Semiclassical mechanics of strongly
resonant systems: a Fourier transform approach,
C.C. Martens and G.S. Ezra,
J. Chem. Phys.
86, 279-307 (1987).
- PERTURB: a special-purpose algebraic
manipulation program for classical perturbation theory,
L. Fried and G.S. Ezra,
J. Comp. Phys. 8, 397-411 (1987).
- Semiclassical quantization using
perturbation theory: algebraic quantization of multidimensional
systems,
L. Fried and G.S. Ezra,
J. Chem. Phys. 86, 6270-6282 (1987).
- 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).
- 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).
- 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).
- Semiclassical rotation-vibration
energies for a triatomic molecule: H_2O,
B.G. Sumpter and G.S. Ezra,
Chem. Phys. Lett.
142, 142-146 (1987).
- 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).
- Generalized algebraic quantization:
corrections to arbitrary order in \hbar,
L.E. Fried and G.S. Ezra,
J. Phys. Chem.
92, 3144-3154 (1988).
- 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].
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- Semiclassical
cycle expansion for the Helium atom,
G.S. Ezra, K. Richter, G. Tanner and D. Wintgen,
J. Phys. B 24,
L413-L420 (1991).
- 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).
- 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).
- 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).
- 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).
- 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).
- A regularized semiclassical radial
propagator for the Coulomb potential,
R. Manning and G.S. Ezra,
Phys. Rev. A 50, 954-966 (1994).
- 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).
- 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).
- 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).
- 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).
- 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).
- A uniform regularized semiclassical
propagator for the 1/x^2 potential,
R. Manning and G.S. Ezra,
Phys. Rev. A 53, 661 (1996).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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)
- 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)
- Optical response functions with semiclassical dynamics,
W. G. Noid, G. S. Ezra, and R. F. Loring,
J. Chem. Phys. 119 , 1003-1020 (2003).
- 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).
- Semiclassical calculation of the vibrational echo,
W. G. Noid, G. S. Ezra, and R. F. Loring,
J. Chem. Phys. 120, 1491-1499 (2004).
- 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).
- 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).
- 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).
- On the derivation of the Herman-Kluk propagator,
S. A. Deshpande and G. S. Ezra,
J. Phys. A39, 5067-5078 (2006).
- Reversible measure-preserving integrators for non-Hamiltonian systems,
G. S. Ezra,
J. Chem. Phys. 125, Art. No. 034104 (2006).
- Quantum state reconstruction for rigid rotors,
S. A. Deshpande and G. S. Ezra,
Chem. Phys. Lett. 440, 341-347 (2007).
- 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).
- Fragmentation kinetics of a Morse oscillator chain
under tension,
J. N. Stember and G. S. Ezra,
Chem. Phys. 337, 11-32 (2007)
- Impenetrable barriers in phase space for deterministic thermostats,
G. S. Ezra and S. Wiggins,
J. Phys. A (Fast Track Communication) 42, 042001 (2009)
- Microcanonical rates, gap times, and phase space dividing surfaces,
G. S. Ezra, H. Waalkens and S. Wiggins,
J. Chem. Phys.130, 164118 (2009)
- Phase space geometry and reaction dynamics near index two saddles,
G. S. Ezra and S. Wiggins,
J. Phys. A 42, 205101 (2009)
- Bulgac-Kusnezov-Nos\'e-Hoover thermostats,
A. Sergi and G. S. Ezra, Phys. Rev. E 81, 036705 (2010)
[cond-mat arXiv:1002.0657]
- 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]
- Isomerization kinetics of a strained Morse oscillator ring,
J. N. Stember and G. S. Ezra,
Chem. Phys. 381, 80-87 (2011)
- 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)
- 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]
- 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]
- 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]]
- 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]
- 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]]
- 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. 592, 282-287 (2014)
[arXiv:1309.6432v1 [phys.chem-ph]]
- 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]
- 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, 140, 134112 (2014)
[arXiv:1402.0012v1 [phys.chem-ph]]
- Roaming dynamics in Ketene isomerization,
F. A. L. Mauguiere, P. Collins, G. S. Ezra, S. C. Farantos and S. Wiggins,
Theoretical Chemistry Accounts, 133 1507 (2014)
[arXiv:1403.6520v1 [phys.chem-ph]]
[DOI 10.1007/s00214-014-1507-4]
- Nonstatistical dynamics on the caldera,
P. Collins, Z. C. Kramer, B. K. Carpenter, G. S. Ezra and S. Wiggins,
J. Chem. Phys. 141 034111 (2014)
[arXiv:1405.2364v1 [phys.chem-ph]]
[AIP Abstract][DOI:10.1063/1.4889780]
- Reaction Path Bifurcation in an Electrocyclic Reaction:
Ring-Opening of the Cyclopropyl Radical ,
Z. C. Kramer, B. K. Carpenter, G. S. Ezra, and S. Wiggins,
J. Phys. Chem. A 119 6611-6630 (2015),
Open Access [DOI: 10.1021/acs.jpca.5b02834]
- Phase Space Structures Explain
Hydrogen Atom Roaming in Formaldehyde Decomposition ,
F. A. L. Mauguiere, P. Collins, Z. C. Kramer, B. K. Carpenter, G. S. Ezra, S. Farantos and S. Wiggins,
J. Phys. Chem. Lett 6 2143--2148 (2015),
Open Access [DOI: 10.1021/acs.jpca.5b01930]
- Phase space barriers and dividing surfaces in the absence of
critical points of the potential energy: Application to roaming in ozone,
F. A. L. Mauguiere, P. Collins, Z. C. Kramer, B. K. Carpenter, G. S. Ezra, S. Farantos
and S. Wiggins, J. Chem. Phys. (in press)
[arXiv:1511.08919 [phys.chem-ph]]