644 citations · 1.4k across the 27 of their papers we have counts for
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Locating transition states using double-ended classical trajectories
A. Matro, D. L. Freeman, J. D. Doll
In this paper we present a method for locating transition states and higher-order saddles on potential energy surfaces using double-ended classical trajectories. We then apply this…
The Construction of Double-Ended Classical Trajectories
A. E. Cho, J. D. Doll, D. L. Freeman
In the present paper we describe relaxation methods for constructing double-ended classical trajectories. We illustrate our approach with an application to a model anharmonic syste…
Quantum Annealing: A New Method for Minimizing Multidimensional Functions
A. B. Finnila, M. A. Gomez, C. Sebenik +2
Quantum annealing is a new method for finding extrema of multidimensional functions. Based on an extension of classical, simulated annealing, this approach appears robust with resp…
Vibrational States of the Hydrogen Isotopes on Pd(111)
Steven W. Rick, J. D. Doll
The ground and excited vibrational states for the three hydrogen isotopes on the Pd(111) surface have been calculated. Notable features of these states are the high degree of anhar…
Fourier Path Integral Monte Carlo Method for the Calculation of the Microcanonical Density of States
David L. Freeman, J. D. Doll
Using a Hubbard-Stratonovich transformation coupled with Fourier path integral methods, expressions are derived for the numerical evaluation of the microcanonical density of states…