Michael F. Herman - Publications

Affiliations: 
Tulane University, New Orleans, LA, United States 
Area:
Physical Chemistry
Website:
https://tulane.edu/sse/chem/faculty/michael-herman.cfm

107 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Herman MF, Currier RP, Clegg SM. An isotopic mass effect on the intermolecular potential Chemical Physics Letters. 639: 266-268. DOI: 10.1016/J.Cplett.2015.09.041  1
2014 Herman MF. Improving the efficiency of Monte Carlo surface hopping calculations. The Journal of Physical Chemistry. B. 118: 8026-33. PMID 24650188 DOI: 10.1021/Jp501139S  1
2014 Herman MF. Analysis of a surface hopping expansion that includes hops in classically forbidden regions Chemical Physics. 433: 12-21. DOI: 10.1016/J.Chemphys.2014.01.013  1
2011 Dang PT, Herman MF. A justification for the use of approximate transition amplitudes in semiclassical surface hopping Molecular Physics. 109: 1581-1592. DOI: 10.1080/00268976.2011.575406  1
2010 Herman MF. The calculation of multidimensional semiclassical wave functions in the forbidden region using real valued coordinates. The Journal of Chemical Physics. 133: 114108. PMID 20866127 DOI: 10.1063/1.3490087  1
2010 Herman MF. Using semiclassical surface hopping for coupled partial wave calculations on systems with non-spherically symmetric potentials Chemical Physics. 373: 274-282. DOI: 10.1016/J.Chemphys.2010.05.028  1
2009 Herman MF. A singularity free surface hopping expansion for the multistate wave function. The Journal of Chemical Physics. 131: 214108. PMID 19968338 DOI: 10.1063/1.3268923  1
2009 Dang PT, Herman MF. A semiclassical model for the calculation of nonadiabatic transition probabilities for classically forbidden transitions. The Journal of Chemical Physics. 130: 054107. PMID 19206958 DOI: 10.1063/1.3066595  1
2008 Herman MF. Semiclassical nonadiabatic surface-hopping wave function expansion at low energies: hops in the forbidden region. The Journal of Physical Chemistry. B. 112: 15966-72. PMID 19367994 DOI: 10.1021/Jp804937Q  1
2008 Herman MF, Wu Y. An analysis through order variant Planck's constant over 2pi(2) of a surface hopping expansion of the nonadiabatic wave function. The Journal of Chemical Physics. 128: 114105. PMID 18361552 DOI: 10.1063/1.2837803  1
2008 Huang X, Herman MF. Numerical studies concerning the efficiency of various techniques in time-independent surface hopping calculations Chemical Physics. 353: 139-144. DOI: 10.1016/J.Chemphys.2008.08.004  1
2008 Herman MF. Higher order phase corrected transition amplitudes for time dependent semiclassical surface hopping calculations Chemical Physics. 351: 51-56. DOI: 10.1016/J.Chemphys.2008.03.033  1
2007 Wu Y, Herman MF. On the properties of a primitive semiclassical surface hopping propagator for nonadiabatic quantum dynamics. The Journal of Chemical Physics. 127: 044109. PMID 17672683 DOI: 10.1063/1.2756532  1
2007 Herman MF, Ding F. On the importance of the classically forbidden region in calculations of the relaxation rate for high-frequency vibrations: a model calculation. The Journal of Physical Chemistry. A. 111: 10186-90. PMID 17608393 DOI: 10.1021/Jp072035S  1
2007 Herman MF, Sergeev A. Using an r-dependent Gaussian width in calculations of the globally uniform semiclassical wave function. The Journal of Chemical Physics. 126: 034104. PMID 17249862 DOI: 10.1063/1.2424938  1
2006 Wu Y, Herman MF. A justification for a nonadiabatic surface hopping Herman-Kluk semiclassical initial value representation of the time evolution operator. The Journal of Chemical Physics. 125: 154116. PMID 17059248 DOI: 10.1063/1.2358352  1
2006 Sergeev A, Herman MF. An analysis of the accuracy of an initial value representation surface hopping wave function in the interaction and asymptotic regions. The Journal of Chemical Physics. 125: 24107. PMID 16848577 DOI: 10.1063/1.2218332  1
2005 Herman MF. Toward an accurate and efficient semiclassical surface hopping procedure for nonadiabatic problems. The Journal of Physical Chemistry. A. 109: 9196-205. PMID 16833258 DOI: 10.1021/Jp052652L  1
2005 Wu Y, Herman MF. Nonadiabatic surface hopping Herman-Kluk semiclassical initial value representation method revisited: applications to Tully's three model systems. The Journal of Chemical Physics. 123: 144106. PMID 16238373 DOI: 10.1063/1.2049251  1
2005 Wu Y, Herman MF, Batista VS. Matching-pursuit/split-operator Fourier-transform simulations of nonadiabatic quantum dynamics. The Journal of Chemical Physics. 122: 114114. PMID 15836208 DOI: 10.1063/1.1881132  1
2005 Herman MF, Moody MP. Numerical study of the accuracy and efficiency of various approaches for Monte Carlo surface hopping calculations. The Journal of Chemical Physics. 122: 094104. PMID 15836109 DOI: 10.1063/1.1855313  1
2004 Herman MF, El Akramine O, Moody MP. Globally uniform semiclassical surface-hopping wave function for nonadiabatic scattering. The Journal of Chemical Physics. 120: 7383-90. PMID 15267648 DOI: 10.1063/1.1687313  1
2003 Moody MP, Ding F, Herman MF. Phase corrected higher-order expression for surface hopping transition amplitudes in nonadiabatic scattering problems Journal of Chemical Physics. 119: 11048-11057. DOI: 10.1063/1.1622662  1
2002 Grossmann F, Herman MF. Comment on 'semiclassical approximations in phase space with coherent states' Journal of Physics a: Mathematical and General. 35: 9489-9492. DOI: 10.1088/0305-4470/35/44/315  1
2001 Herman MF. A length scale dependent model for stress relaxation in polymer melts Macromolecules. 34: 4580-4590. DOI: 10.1021/Ma001268D  1
2001 Yang G, Herman MF. Semiclassical surface hopping H-K propagator: Application to two-dimensional, two-surface problems Journal of Physical Chemistry B. 105: 6562-6569. DOI: 10.1021/Jp004509S  1
2001 Herman MF. Comparison of semiclassical methods for time dependent density evolution for a two state model problem Chemical Physics. 273: 175-189. DOI: 10.1016/S0301-0104(01)00479-7  1
2000 Herman MF. Recent nuclear magnetic resonance experiments on polymer melts: Comments Journal of Chemical Physics. 112: 3040-3044. DOI: 10.1063/1.480878  1
2000 Panajotova BV, Herman MF. Using force field simulations for the evaluation of the monomer parameters for the calculation of diffusion constants for long chain polymer melts Macromolecules. 33: 3932-3939. DOI: 10.1021/Ma992002D  1
1999 Herman MF. Choosing a good representation of the quantum state wave functions for semiclassical surface hopping calculations Journal of Chemical Physics. 111: 10427-10435. DOI: 10.1063/1.480397  1
1999 Herman MF, Coker DF. Classical mechanics and the spreading of localized wave packets in condensed phase molecular systems Journal of Chemical Physics. 111: 1801-1808. DOI: 10.1063/1.479449  1
1999 Herman MF. Improved treatment of the lateral-reptative mixing and approximate analytical expressions for the lateral motion model of polymer melts Journal of Chemical Physics. 110: 8792-8801. DOI: 10.1063/1.478786  1
1999 Herman MF. Optimal representation for semiclassical surface hopping methods Journal of Chemical Physics. 110: 4141-4151. DOI: 10.1063/1.478298  1
1999 Velev P, Herman MF. A semiclassical surface-hopping procedure for vibrational relaxation in polyatomic molecules: Model calculations Chemical Physics. 240: 241-252.  1
1998 Herman MF. Model calculations of resonant vibration to vibration transition probabilities in clusters Journal of Chemical Physics. 109: 4726-4733. DOI: 10.1063/1.477084  1
1998 Panajotova BV, Herman MF. A quantitative theory of linear chain polymer dynamics in the melt. IV. Comparison with experimental diffusion constant data Journal of Chemical Physics. 108: 5122-5129. DOI: 10.1063/1.475917  1
1998 Dodaro FA, Herman MF. Comparison of theoretical methods for resonant vibration-vibration energy transfer in liquids Journal of Chemical Physics. 108: 2903-2911. DOI: 10.1063/1.475678  1
1998 Guerin BE, Herman MF. A numerical test of different integral conditioning approximations for a semiclassical initial value representation for wavepacket propagation Chemical Physics Letters. 286: 361-368. DOI: 10.1016/S0009-2614(98)00052-9  1
1998 Herman MF. The development of semiclassical dynamical methods and their application to vibrational relaxation in condensed-phase systems International Journal of Quantum Chemistry. 70: 877-886. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<897::Aid-Qua35>3.0.Co;2-W  1
1997 Herman MF, Panajotova BV. A model for the plateau in the relaxation modulus for linear chain polymer melts Computational and Theoretical Polymer Science. 7: 101-111. DOI: 10.1016/S1089-3156(97)00015-9  1
1997 Herman MF. Improving the accuracy of semiclassical wavepacket propagation using integral conditioning techniques Chemical Physics Letters. 275: 445-452. DOI: 10.1016/S0009-2614(97)00780-X  1
1996 Lorenz KT, Herman MF. A quantitative theory of linear chain polymer dynamics in the melt. III. Dependence of quantities on bead location along the chain contour Journal of Chemical Physics. 105: 2463-2470. DOI: 10.1063/1.472114  1
1996 Herman MF, Panajotova B, Lorenz KT. A quantitative theory of linear chain polymer dynamics in the melt. II. Comparison with simulation data Journal of Chemical Physics. 105: 1162-1174. DOI: 10.1063/1.471959  1
1996 Herman MF, Panajotova B, Lorenz KT. A quantitative theory of linear chain polymer dynamics in the melt. I. General scaling behavior Journal of Chemical Physics. 105: 1153-1161. DOI: 10.1063/1.471958  1
1996 Herman MF. Explanation for the experimental data on the motion of rings and linear chains in melts and microgels Macromolecules. 29: 6349-6350. DOI: 10.1021/ma960229s  1
1996 Kommareddi NS, Tata M, John VT, McPherson GL, Herman MF, Lee YS, O'Connor CJ, Akkara JA, Kaplan DL. Synthesis of superparamagnetic polymer-ferrite composites using surfactant microstructures Chemistry of Materials. 8: 801-809. DOI: 10.1021/Cm940485O  1
1996 Lorenz KT, Cowen KA, Fleming PE, Mathews MG, Herman MF, Koplitz B. Toward understanding the role of Stark effects when probing the nuclear hyperfine states of atomic hydrogen Chemical Physics Letters. 261: 145-154. DOI: 10.1016/0009-2614(96)00908-6  1
1995 Herman MF. The role of correlated many chain motions in linear chain polymer melts The Journal of Chemical Physics. 103: 4324-4332. DOI: 10.1063/1.470671  1
1995 Cowen KA, Lorenz KT, Yen YF, Herman MF, Koplitz B. Determining nuclear hyperfine populations in the ground electronic state of atomic hydrogen produced by the 193 nm photolysis of HBr The Journal of Chemical Physics. 103: 5864-5867. DOI: 10.1063/1.470466  1
1995 Herman MF. A semiclassical surface hopping propagator for nonadiabatic problems The Journal of Chemical Physics. 103: 8081-8097. DOI: 10.1063/1.470173  1
1995 Tong P, Herman MF. Viscoelastic response of bidisperse melts in the lateral motion model The Journal of Chemical Physics. 102: 7700-7707. DOI: 10.1063/1.469021  1
1995 Kommareddi NS, Tata M, Karayigitoglu C, John VT, McPherson GL, Herman MF, O'Connor CJ, Lee YS, Akkara JA, Kaplan DL. Enzymatic polymerizations using surfactant microstructures and the preparation of polymer-ferrite composites Applied Biochemistry and Biotechnology. 51: 241-252. DOI: 10.1007/Bf02933427  1
1994 Arce JC, Herman MF. Semiclassical surface-hopping approximations for the calculation of solvent-induced vibrational-relaxation rate constants The Journal of Chemical Physics. 101: 7520-7527. DOI: 10.1063/1.468245  1
1994 Herman MF, Arce JC. A semiclassical surface hopping formalism for solvent-induced vibrational relaxtion Chemical Physics. 183: 335-350. DOI: 10.1016/0301-0104(94)00061-1  1
1994 Herman MF. Dynamics by semiclassical methods Annual Review of Physical Chemistry. 45: 83-111.  1
1993 Amini AM, Herman MF. Analysis of the statistical errors in conditioned real time path integral methods The Journal of Chemical Physics. 99: 5087-5090. DOI: 10.1063/1.466224  1
1993 Amini AM, Herman MF. An approximate discretized real time path integral simulation method for nearly classical systems The Journal of Chemical Physics. 98: 6975-6981. DOI: 10.1063/1.464739  1
1993 Deal M, Gharvai A, McPherson GL, Martinez CE, Herman MF. Scaling analysis of exciton annihilations in highly anisotropic crystals Chemical Physics. 174: 81-92. DOI: 10.1016/0301-0104(93)80053-C  1
1993 Herman MF, Tong P. Models for the dynamics of monodisperse polymer melts based on lateral chain motions Journal of Mathematical Chemistry. 13: 15-32. DOI: 10.1007/Bf01165549  1
1993 Tong P, Herman MF. Plateau modulus in the lateral motion model for melt polymer dynamics: A computer simulation Macromolecules. 26: 3727-3732.  1
1993 Herman MF, Tong P. Scaling analysis of multichain cooperative motions in the lateral motion model for polymer melts Macromolecules. 26: 3733-3737.  1
1992 Amini AM, Herman MF. Real-time path-integral simulation of vibrational transition probabilities of small molecules in clusters: Theory and application to Br2 in Ar The Journal of Chemical Physics. 96: 5999-6009. DOI: 10.1063/1.462640  1
1992 Herman MF. Linear viscoelastic response in the lateral diffusion model for linear chain polymer melts Macromolecules. 25: 4931-4936.  1
1992 Herman MF. Lateral diffusion model for polymer dynamics in the melt: Mean-squared displacement for monodisperse and polydisperse systems Macromolecules. 25: 4925-4930.  1
1992 Herman MF, Tong P. Effect of many chain interactions on lateral motion in polymer melts: A model for the dynamics of linear chain systems Macromolecules. 25: 6638-6645.  1
1991 Herman MF. A non-reptation model for polymer dynamics in the melt and concentrated solutions Journal of Non-Crystalline Solids. 131: 715-722. DOI: 10.1016/0022-3093(91)90673-T  1
1990 Herman MF, Martinez CE. Approximate scaling relationships for exciton migration with trapping Chemical Physics. 148: 85-93. DOI: 10.1016/0301-0104(90)89009-F  1
1990 Blakley RL, Martinez CE, Herman MF, McPherson GL. Exciton annihilation in one-dimensional inorganic crystals: power dependent luminescence decay curves from (CH3)4NMnCl3 (TMMC), (CH3)4 NMnBr3 (TMMB) and CsMnBr3 (CMB) Chemical Physics. 146: 373-380. DOI: 10.1016/0301-0104(90)80057-5  1
1990 Herman MF. A nonreptation model for polymer dynamics in the melt and concentrated solutions The Journal of Chemical Physics. 92: 2043-2054.  1
1990 Herman MF, Edwards SF. Reptation model for polymer dissolution Macromolecules. 23: 3662-3671.  1
1989 Rodriguez WJ, Herman MF, McPherson GL. Computer simulation of exciton trapping in Cu2+-doped crystals of (CH3)4NMnCl3 and (CH3)4NMnBr3 : Significance of trap efficiency in one-dimensional systems. Physical Review. B, Condensed Matter. 39: 13187-13192. PMID 9948217 DOI: 10.1103/Physrevb.39.13187  0.6
1989 Rodriguez WJ, Herman MF, McPherson GL. Computer simulation of exciton trapping in Cu2+-doped crystals of (CH3)4NMnCl3 and (CH3)4NMnBr3: Significance of trap efficiency in one-dimensional systems Physical Review B. 39: 13187-13192. DOI: 10.1103/PhysRevB.39.13187  1
1988 Rudra JK, Herman MF. Solvent-induced vibrational population relaxation in diatomics: The role of the physical parameters of the system Journal of Molecular Liquids. 39: 233-251. DOI: 10.1016/0167-7322(88)80063-1  1
1988 Herman MF, Rodriguez WJ, McPherson GL. One-dimensional exciton migration: The role of trap efficiency Chemical Physics Letters. 144: 541-547. DOI: 10.1016/0009-2614(88)87311-1  1
1988 Herman MF, Rudra JK. A simple coarse-graining technique for the Monte Carlo evaluation of highly oscillatory integrals Chemical Physics Letters. 150: 535-541. DOI: 10.1016/0009-2614(88)87243-9  1
1987 Herman MF. Solvent induced vibrational population relaxation in diatomics. II. Simulation for Br2 in Ar The Journal of Chemical Physics. 87: 4794-4801. DOI: 10.1063/1.452841  1
1987 Herman MF. Solvent induced vibrational relaxation in diatomics. I. Derivation of a local relaxation rate The Journal of Chemical Physics. 87: 4779-4793. DOI: 10.1063/1.452840  1
1986 Herman MF. Time reversal and unitarity in the frozen Gaussian approximation for semiclassical scattering The Journal of Chemical Physics. 85: 2069-2076. DOI: 10.1063/1.451150  1
1985 Herman MF, Currier R. Analysis of the relative phases of contributions to the primitive semiclassical S matrix Molecular Physics. 56: 525-539. DOI: 10.1080/00268978500102501  1
1985 Kluk E, Herman MF, Davis HL. Comparison of the propagation of semiclassical frozen Gaussian wave functions with quantum propagation for a highly excited anharmonic oscillator The Journal of Chemical Physics. 84: 326-334. DOI: 10.1063/1.450142  1
1985 Herman MF. Nonadiabatic semiclassical scattering. III. Time dependent surface hopping formalism The Journal of Chemical Physics. 82: 3666-3673. DOI: 10.1063/1.448902  1
1985 Currier R, Herman MF. Numerical comparison of generalized surface hopping, classical analog, and self-consistent eikonal approximations for nonadiabatic scattering The Journal of Chemical Physics. 82: 4509-4516. DOI: 10.1063/1.448705  1
1985 Herman MF, Currier R. A justification for the use of the Langer modification in Miller's classical analog method of non-adiabatic scattering Chemical Physics Letters. 114: 411-414. DOI: 10.1016/0009-2614(85)85110-1  1
1984 Herman MF. Nonadiabatic semiclassical scattering. II. Solution of two-dimensional models and comparison with quantum results The Journal of Chemical Physics. 81: 764-774. DOI: 10.1063/1.447709  1
1984 Herman MF. Nonadiabatic semiclassical scattering. I. Analysis of generalized surface hopping procedures The Journal of Chemical Physics. 81: 754-763. DOI: 10.1063/1.447708  1
1984 Herman MF, Kluk E. A semiclasical justification for the use of non-spreading wavepackets in dynamics calculations Chemical Physics. 91: 27-34. DOI: 10.1016/0301-0104(84)80039-7  1
1983 Herman MF. A new uniform semiclassical wave function for single surface and multisurface scattering The Journal of Chemical Physics. 79: 2771-2778. DOI: 10.1063/1.446096  1
1983 Herman MF, Berne BJ. Monte Carlo simulation of solvent effects on vibrational and electronic spectra The Journal of Chemical Physics. 78: 4103-4117. DOI: 10.1063/1.445139  1
1982 Herman MF, Freed KF. Nonadiabatic semiclassical scattering: Atom-diatom collisions in self-consistent matrix propagator formalism The Journal of Chemical Physics. 78: 6010-6020. DOI: 10.1063/1.444617  1
1982 Herman MF. Generalization of the geometric optical series approach for nonadiabatic scattering problems The Journal of Chemical Physics. 76: 2949-2958. DOI: 10.1063/1.443388  1
1982 Lynch D, Herman MF, Yeager DL. Excited state properties from the equations of motion method. Application of the MCTDHF-MCRPA to the dipole moments and oscillator strengths of the A 1Π, a′3Π, a′3Σ+ and d3Δ low-lying valence states of CO Chemical Physics. 64: 69-81. DOI: 10.1016/0301-0104(82)85004-0  1
1981 Herman MF, Bruskin EJ, Berne BJ. On path integral Monte Carlo simulations The Journal of Chemical Physics. 76: 5150-5155. DOI: 10.1063/1.442815  1
1981 Herman MF, Berne BJ. A monte carlo procedure for the study of solvent effects on quantum molecular degrees of freedom Chemical Physics Letters. 77: 163-167. DOI: 10.1016/0009-2614(81)85620-5  1
1981 Sun H, Sheppard MG, Freed KF, Herman MF. First principles test of transferability hypothesis of semi-empirical theories using correlated ab initio effective valence shell hamiltonian methods Chemical Physics Letters. 77: 555-561. DOI: 10.1016/0009-2614(81)85206-2  1
1980 Freed KF, Herman MF, Yeager DL. Critical comparison between equation of motion-green’s function methods and configuration interaction methods: Analysis of methods and applications Physica Scripta. 21: 242-250. DOI: 10.1088/0031-8949/21/3-4/005  1
1980 Sun H, Freed KF, Herman MF, Yeager DL. Ab initio effective valence shell Hamiltonian for the neutral and ionic valence states of N, O, F, Si, P, and S The Journal of Chemical Physics. 72: 4158-4173. DOI: 10.1063/1.439646  1
1980 Herman MF, Freed KF, Yeager DL, Liu B. Critical test of equation‐of‐motion–Green’s function methods. II. Comparison with configuration interaction results Journal of Chemical Physics. 72: 611-620. DOI: 10.1063/1.438951  1
1980 Herman MF, Freed KF, Yeager DL. Critical test of equation‐of‐motion–Green’s function methods. I. Theory of higher order terms Journal of Chemical Physics. 72: 602-610. DOI: 10.1063/1.438950  1
1980 Herman MF, Freed KF, Yeager DL, Liu B. Critical test of equation-of-motion-Green's function methods. II. Comparison with configuration interaction results The Journal of Chemical Physics. 72: 611-620.  1
1980 Herman MF, Freed KF, Yeager DL. Critical test of equation-of-motion-Green's function methods. I. Theory of higher order terms The Journal of Chemical Physics. 72: 602-610.  1
1979 Herman MF, Freed KF. Analysis of approximations and errors in equations of motion method calculations Chemical Physics. 36: 383-396. DOI: 10.1016/0301-0104(79)85022-3  1
1979 Sheppard MG, Freed KF, Herman MF, Yeager DL. Generalized perturbation theory of effective valence shell hamiltonians Chemical Physics Letters. 61: 577-582. DOI: 10.1016/0009-2614(79)87176-6  1
1978 Herman MF, Yeager DL, Freed KF. Analysis of third order contributions to equations of motion-green's function ionization potentials: Application to N2 Chemical Physics. 29: 77-96. DOI: 10.1016/0301-0104(78)85063-0  1
1978 Herman MF, Freed KF, Yeager DL. Shake-up peak positions and intensities by many-body theory methods Chemical Physics. 32: 437-449. DOI: 10.1016/0301-0104(78)85025-3  1
1978 Yeager DL, Sun H, Freed KF, Herman MF. Ab initio calculation of the effective valence shell hamiltonian of carbon: Simultaneous treatment of neutral and ion states Chemical Physics Letters. 57: 490-495. DOI: 10.1016/0009-2614(78)85305-6  1
1977 Yeager DL, Freed KF. Analysis of third order contributions to equations of motion-Green's function excitation energies: application to N2 Chemical Physics. 22: 415-433. DOI: 10.1016/0301-0104(77)89028-9  1
1977 Herman MF, Yeager DL, Freed KF, McKoy V. Critical analysis of equations-of-motion-Green's function method: Ionization potentials of N2 Chemical Physics Letters. 46: 1-7. DOI: 10.1016/0009-2614(77)85152-X  1
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