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Eitan Geva - Publications

Affiliations: 
Chemistry University of Michigan, Ann Arbor, Ann Arbor, MI 
Area:
Theoretical and Computational Chemistry
Website:
https://www.chem.lsa.umich.edu/chem/faculty/facultyDetail.php?Uniqname=eitan
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128 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
2023 Schubert A, Bhandari S, Geva E, Dunietz BD. A Computational Study of the Electronic Energy and Charge Transfer Rates and Pathways in the Tetraphenyldibenzoperiflanthene/Fullerene Interfacial Dyad. The Journal of Physical Chemistry Letters. 14: 9569-9583. PMID 37862043 DOI: 10.1021/acs.jpclett.3c01927  0.827
2023 Saller MAC, Lai Y, Geva E. Cavity-modified Fermi's golden rule rate constants: Beyond the single mode approximation. The Journal of Chemical Physics. 159. PMID 37861118 DOI: 10.1063/5.0172265  0.778
2023 Lyu N, Miano A, Tsioutsios I, Cortiñas RG, Jung K, Wang Y, Hu Z, Geva E, Kais S, Batista VS. Mapping Molecular Hamiltonians into Hamiltonians of Modular cQED Processors. Journal of Chemical Theory and Computation. 19: 6564-6576. PMID 37733472 DOI: 10.1021/acs.jctc.3c00620  0.504
2023 Wang Y, Mulvihill E, Hu Z, Lyu N, Shivpuje S, Liu Y, Soley MB, Geva E, Batista VS, Kais S. Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations. Journal of Chemical Theory and Computation. PMID 37233199 DOI: 10.1021/acs.jctc.3c00316  0.807
2023 Lyu N, Mulvihill E, Soley MB, Geva E, Batista VS. Tensor-Train Thermo-Field Memory Kernels for Generalized Quantum Master Equations. Journal of Chemical Theory and Computation. PMID 36719350 DOI: 10.1021/acs.jctc.2c00892  0.716
2022 Lai Y, Geva E. Electronic absorption spectra from off-diagonal quantum master equations. The Journal of Chemical Physics. 157: 104115. PMID 36109232 DOI: 10.1063/5.0106888  0.797
2022 Saller MAC, Lai Y, Geva E. An Accurate Linearized Semiclassical Approach for Calculating Cavity-Modified Charge Transfer Rate Constants. The Journal of Physical Chemistry Letters. 13: 2330-2337. PMID 35245071 DOI: 10.1021/acs.jpclett.2c00122  0.804
2022 Mulvihill E, Geva E. Simulating the dynamics of electronic observables via reduced-dimensionality generalized quantum master equations. The Journal of Chemical Physics. 156: 044119. PMID 35105072 DOI: 10.1063/5.0078040  0.635
2022 Tinnin J, Bhandari S, Zhang P, Geva E, Dunietz BD, Sun X, Cheung MS. Correlating Interfacial Charge Transfer Rates with Interfacial Molecular Structure in the Tetraphenyldibenzoperiflanthene/C Organic Photovoltaic System. The Journal of Physical Chemistry Letters. 763-769. PMID 35040657 DOI: 10.1021/acs.jpclett.1c03618  0.77
2021 Lai Y, Geva E. On simulating the dynamics of electronic populations and coherences via quantum master equations based on treating off-diagonal electronic coupling terms as a small perturbation. The Journal of Chemical Physics. 155: 204101. PMID 34852488 DOI: 10.1063/5.0069313  0.787
2021 Mulvihill E, Geva E. A Road Map to Various Pathways for Calculating the Memory Kernel of the Generalized Quantum Master Equation. The Journal of Physical Chemistry. B. 125: 9834-9852. PMID 34424700 DOI: 10.1021/acs.jpcb.1c05719  0.658
2021 Mulvihill E, Lenn KM, Gao X, Schubert A, Dunietz BD, Geva E. Simulating energy transfer dynamics in the Fenna-Matthews-Olson complex via the modified generalized quantum master equation. The Journal of Chemical Physics. 154: 204109. PMID 34241158 DOI: 10.1063/5.0051101  0.811
2021 Brian D, Liu Z, Dunietz BD, Geva E, Sun X. Three-state harmonic models for photoinduced charge transfer. The Journal of Chemical Physics. 154: 174105. PMID 34241055 DOI: 10.1063/5.0050289  0.811
2021 Tinnin J, Aksu H, Tong Z, Zhang P, Geva E, Dunietz BD, Sun X, Cheung MS. CTRAMER: An open-source software package for correlating interfacial charge transfer rate constants with donor/acceptor geometries in organic photovoltaic materials. The Journal of Chemical Physics. 154: 214108. PMID 34240998 DOI: 10.1063/5.0050574  0.785
2021 Saller MAC, Kelly A, Geva E. Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular Dynamics. The Journal of Physical Chemistry Letters. 3163-3170. PMID 33755487 DOI: 10.1021/acs.jpclett.1c00158  0.716
2020 Gao X, Geva E. Improving the Accuracy of Quasiclassical Mapping Hamiltonian Methods by Treating the Window Function Width as an Adjustable Parameter. The Journal of Physical Chemistry. A. PMID 33347304 DOI: 10.1021/acs.jpca.0c09750  0.421
2020 Hu Z, Tong Z, Cheung MS, Dunietz BD, Geva E, Sun X. Photoinduced Charge Transfer Dynamics in the Carotenoid-Porphyrin-C Triad via the Linearized Semiclassical Nonequilibrium Fermi's Golden Rule. The Journal of Physical Chemistry. B. PMID 33059444 DOI: 10.1021/acs.jpcb.0c06306  0.779
2020 Tong Z, Gao X, Cheung MS, Dunietz BD, Geva E, Sun X. Erratum: "Charge transfer rate constants for the carotenoid-porphyrin-C molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation" [J. Chem. Phys. 153, 044105 (2020)]. The Journal of Chemical Physics. 153: 129901. PMID 33003760 DOI: 10.1063/5.0028384  0.785
2020 Han J, Zhang P, Aksu H, Maiti B, Sun X, Geva E, Dunietz BD, Cheung MS. On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer Rates. Journal of Chemical Theory and Computation. PMID 32997944 DOI: 10.1021/acs.jctc.0c00796  0.78
2020 Gao X, Lai Y, Geva E. Simulating Absorption Spectra of Multi-Excitonic Systems via Quasiclassical Mapping Hamiltonian Methods. Journal of Chemical Theory and Computation. PMID 32877177 DOI: 10.1021/Acs.Jctc.0C00709  0.81
2020 Gao X, Geva E. A Nonperturbative Methodology for Simulating Multidimensional Spectra of Multiexcitonic Molecular Systems via Quasiclassical Mapping Hamiltonian Methods. Journal of Chemical Theory and Computation. PMID 32866005 DOI: 10.1021/Acs.Jctc.0C00843  0.555
2020 Tong Z, Gao X, Cheung MS, Dunietz BD, Geva E, Sun X. Charge transfer rate constants for the carotenoid-porphyrin-C molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation. The Journal of Chemical Physics. 153: 044105. PMID 32752699 DOI: 10.1063/5.0016160  0.82
2020 Liu Y, Gao X, Lai Y, Mulvihill E, Geva E. Electronic dynamics through conical intersections via quasi-classical mapping Hamiltonian methods. Journal of Chemical Theory and Computation. PMID 32421321 DOI: 10.1021/Acs.Jctc.0C00177  0.801
2020 Gao X, Sallerr MAC, Liu Y, Kelly A, Richardson JO, Geva E. Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics. Journal of Chemical Theory and Computation. PMID 32227993 DOI: 10.1021/Acs.Jctc.9B01267  0.816
2020 Aksu H, Schubert A, Bhandari S, Yamada A, Geva E, Dunietz BD. On the Role of the Special Pair in Photosystems as a Charge Transfer Rectifier. The Journal of Physical Chemistry. B. PMID 32109062 DOI: 10.1021/Acs.Jpcb.9B11431  0.814
2020 Song Y, Schubert A, Liu X, Bhandari S, Forrest SR, Dunietz BD, Geva E, Ogilvie JP. Efficient Charge Generation via Hole Transfer in Dilute Organic Donor-Fullerene Blends. The Journal of Physical Chemistry Letters. PMID 32031813 DOI: 10.1021/Acs.Jpclett.0C00058  0.817
2020 Tinnin J, Bhandari S, Zhang P, Aksu H, Maiti B, Geva E, Dunietz BD, Sun X, Cheung MS. Molecular-Level Exploration of the Structure-Function Relations Underlying Interfacial Charge Transfer in the Subphthalocyanine/ C60 Organic Photovoltaic System Physical Review Applied. 13. DOI: 10.1103/Physrevapplied.13.054075  0.761
2019 Song Y, Schubert A, Maret E, Burdick RK, Dunietz BD, Geva E, Ogilvie JP. Vibronic structure of photosynthetic pigments probed by polarized two-dimensional electronic spectroscopy and calculations. Chemical Science. 10: 8143-8153. PMID 31857881 DOI: 10.1039/C9Sc02329A  0.811
2019 Aksu H, Schubert A, Geva E, Dunietz BD. Explaining Spectral Asymmetries and Excitonic Characters of the Core Pigment Pairs in the Bacterial Reaction Center Using a Screened Range-Separated Hybrid Functional. The Journal of Physical Chemistry. B. PMID 31609616 DOI: 10.1021/Acs.Jpcb.9B07646  0.811
2019 Mulvihill E, Gao X, Liu Y, Schubert A, Dunietz BD, Geva E. Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics. The Journal of Chemical Physics. 151: 074103. PMID 31438690 DOI: 10.1063/1.5110891  0.807
2019 Mulvihill E, Schubert A, Sun X, Dunietz BD, Geva E. A modified approach for simulating electronically nonadiabatic dynamics via the generalized quantum master equation. The Journal of Chemical Physics. 150: 034101. PMID 30660163 DOI: 10.1063/1.5055756  0.81
2018 Bhandari S, Cheung MS, Geva E, Kronik L, Dunietz BD. Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals. Journal of Chemical Theory and Computation. PMID 30444365 DOI: 10.1021/Acs.Jctc.8B00876  0.741
2018 Kananenka AA, Sun X, Schubert A, Dunietz BD, Geva E. A comparative study of different methods for calculating electronic transition rates. The Journal of Chemical Physics. 148: 102304. PMID 29544297 DOI: 10.1063/1.4989509  0.823
2018 Sun X, Zhang P, Lai Y, Williams KL, Cheung MS, Dunietz BD, Geva E. Computational Study of Charge-Transfer Dynamics in the Carotenoid–Porphyrin–C60Molecular Triad Solvated in Explicit Tetrahydrofuran and Its Spectroscopic Signature The Journal of Physical Chemistry C. 122: 11288-11299. DOI: 10.1021/Acs.Jpcc.8B02697  0.825
2017 Kananenka AA, Hsieh CY, Cao J, Geva E. Nonadiabatic Dynamics via the Symmetrical Quasi-Classical Method in the Presence of Anharmonicity. The Journal of Physical Chemistry Letters. PMID 29239614 DOI: 10.1021/Acs.Jpclett.7B03002  0.618
2017 Maiti B, Schubert A, Sarkar S, Bhandari S, Wang K, Li Z, Geva E, Twieg RJ, Dunietz BD. Enhancing charge mobilities in organic semiconductors by selective fluorination: a design approach based on a quantum mechanical perspective. Chemical Science. 8: 6947-6953. PMID 29147520 DOI: 10.1039/C7Sc02491F  0.803
2017 Sarkar S, Hendrickson HP, Lee D, DeVine F, Jung J, Geva E, Kim J, Dunietz BD. Phosphorescence in Bromobenzaldehyde Can Be Enhanced through Intramolecular Heavy Atom Effect The Journal of Physical Chemistry C. 121: 3771-3777. DOI: 10.1021/Acs.Jpcc.6B12027  0.782
2017 Jafari M, Welden AR, Williams KL, Winograd B, Mulvihill E, Hendrickson HP, Lenard M, Gottfried A, Geva E. Compute-to-Learn: Authentic Learning via Development of Interactive Computer Demonstrations within a Peer-Led Studio Environment Journal of Chemical Education. 94: 1896-1903. DOI: 10.1021/Acs.Jchemed.7B00032  0.752
2016 Kananenka AA, Hsieh CY, Cao J, Geva E. Accurate Long-Time Mixed Quantum-Classical Liouville Dynamics via the Transfer Tensor Method. The Journal of Physical Chemistry Letters. 7: 4809-4814. PMID 27934045 DOI: 10.1021/Acs.Jpclett.6B02389  0.628
2016 Sun X, Geva E. Non-Condon equilibrium Fermi's golden rule electronic transition rate constants via the linearized semiclassical method. The Journal of Chemical Physics. 144: 244105. PMID 27369495 DOI: 10.1063/1.4954509  0.583
2016 Sun X, Geva E. Nonequilibrium Fermi's Golden Rule Charge Transfer Rates via the Linearized Semiclassical Method. Journal of Chemical Theory and Computation. PMID 27128887 DOI: 10.1021/Acs.Jctc.6B00236  0.582
2016 Sun X, Geva E. Exact vs. asymptotic spectral densities in the Garg-Onuchic-Ambegaokar charge transfer model and its effect on Fermi's golden rule rate constants. The Journal of Chemical Physics. 144: 044106. PMID 26827201 DOI: 10.1063/1.4940308  0.523
2016 Sun X, Geva E. Non-Condon nonequilibrium Fermi’s golden rule rates from the linearized semiclassical method The Journal of Chemical Physics. 145: 064109. DOI: 10.1063/1.4960337  0.564
2015 McRobbie PL, Geva E. Coherent Control of Population Transfer via Linear Chirp in Liquid Solution: The Role of Motional Narrowing. The Journal of Physical Chemistry. A. PMID 26595412 DOI: 10.1021/Acs.Jpca.5B09736  0.803
2015 Sun X, Geva E. Equilibrium Fermi's Golden Rule Charge Transfer Rate Constants in the Condensed Phase: The Linearized Semiclassical Method vs Classical Marcus Theory. The Journal of Physical Chemistry. A. PMID 26452042 DOI: 10.1021/Acs.Jpca.5B08280  0.555
2015 Wilcox DE, Lee MH, Sykes ME, Niedringhaus A, Geva E, Dunietz BD, Shtein M, Ogilvie JP. Ultrafast Charge-Transfer Dynamics at the Boron Subphthalocyanine Chloride/C60 Heterojunction: Comparison between Experiment and Theory. The Journal of Physical Chemistry Letters. 6: 569-75. PMID 26261981 DOI: 10.1021/Jz502278K  0.797
2015 Lee MH, Geva E, Dunietz BD. The Effect of Interfacial Geometry on Charge-Transfer States in the Phthalocyanine/Fullerene Organic Photovoltaic System. The Journal of Physical Chemistry. A. PMID 26237431 DOI: 10.1021/Acs.Jpca.5B06196  0.785
2015 Wilcox DE, Lee MH, Sykes ME, Niedringhaus A, Geva E, Dunietz BD, Shtein M, Ogilvie JP. Ultrafast charge-transfer dynamics at the boron subphthalocyanine chloride/C60 heterojunction: Comparison between experiment and theory Journal of Physical Chemistry Letters. 6: 569-575. DOI: 10.1021/jz502278k  0.755
2014 Lee MH, Dunietz BD, Geva E. Donor-to-Donor vs Donor-to-Acceptor Interfacial Charge Transfer States in the Phthalocyanine-Fullerene Organic Photovoltaic System. The Journal of Physical Chemistry Letters. 5: 3810-6. PMID 26278752 DOI: 10.1021/Jz5017203  0.767
2014 Zheng Z, Manna AK, Hendrickson HP, Hammer M, Song C, Geva E, Dunietz BD. Molecular structure, spectroscopy, and photoinduced kinetics in trinuclear cyanide bridged complex in solution: a first-principles perspective. Journal of the American Chemical Society. 136: 16954-7. PMID 25424459 DOI: 10.1021/Ja507131Q  0.777
2014 Talapatra S, Geva E. Vibrational lifetimes of cyanide ion in aqueous solution from molecular dynamics simulations: intermolecular vs intramolecular accepting modes. The Journal of Physical Chemistry. B. 118: 7395-404. PMID 24927159 DOI: 10.1021/Jp504460Q  0.603
2014 Vazquez FX, Talapatra S, Sension RJ, Geva E. The entropic origin of solvent effects on the single bond cZt-tZt isomerization rate constant of 1,3,5-cis-hexatriene in alkane and alcohol solvents: a molecular dynamics study. The Journal of Physical Chemistry. B. 118: 7869-77. PMID 24731242 DOI: 10.1021/Jp5002644  0.798
2014 Lee MH, Dunietz BD, Geva E. Donor-to-donor vs donor-to-acceptor interfacial charge transfer states in the phthalocyanine-fullerene organic photovoltaic system Journal of Physical Chemistry Letters. 5: 3810-3816. DOI: 10.1021/jz5017203  0.744
2014 Lee MH, Geva E, Dunietz BD. Calculation from first-principles of golden rule rate constants for photoinduced subphthalocyanine/fullerene interfacial charge transfer and recombination in organic photovoltaic cells Journal of Physical Chemistry C. 118: 9780-9789. DOI: 10.1021/Jp501199U  0.784
2014 Phillips H, Zheng Z, Geva E, Dunietz BD. Orbital gap predictions for rational design of organic photovoltaic materials Organic Electronics: Physics, Materials, Applications. 15: 1509-1520. DOI: 10.1016/J.Orgel.2014.03.040  0.736
2013 Zheng S, Geva E, Dunietz BD. Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum Models. Journal of Chemical Theory and Computation. 9: 1125-31. PMID 26588755 DOI: 10.1021/Ct300700Q  0.811
2013 Kwac K, Geva E. A mixed quantum-classical molecular dynamics study of anti-tetrol and syn-tetrol dissolved in liquid chloroform: hydrogen-bond structure and its signature on the infrared absorption spectrum. The Journal of Physical Chemistry. B. 117: 16493-505. PMID 24321084 DOI: 10.1021/Jp4080724  0.751
2013 Kwac K, Geva E. A mixed quantum-classical molecular dynamics study of anti-tetrol and syn-tetrol dissolved in liquid chloroform II: infrared emission spectra, vibrational excited-state lifetimes, and nonequilibrium hydrogen-bond dynamics. The Journal of Physical Chemistry. B. 117: 14457-67. PMID 24160998 DOI: 10.1021/Jp408580N  0.753
2013 Kwac K, Geva E. Solvation dynamics of formylperylene dissolved in methanol-acetonitrile liquid mixtures: a molecular dynamics study. The Journal of Physical Chemistry. B. 117: 9996-10006. PMID 23924373 DOI: 10.1021/Jp405818F  0.725
2013 Kwac K, Geva E. A mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon tetrachloride mixtures III: nonequilibrium hydrogen-bond dynamics and infrared pump-probe spectra. The Journal of Physical Chemistry. B. 117: 7737-49. PMID 23713405 DOI: 10.1021/Jp403726T  0.777
2013 Lee MH, Dunietz BD, Geva E. Calculation from first principles of intramolecular golden-rule rate constants for photo-induced electron transfer in molecular donor-acceptor systems Journal of Physical Chemistry C. 117: 23391-23401. DOI: 10.1021/Jp4081417  0.773
2013 Zheng S, Geva E, Dunietz BD. Solvated charge transfer states of functionalized anthracene and tetracyanoethylene dimers: A computational study based on a range separated hybrid functional and charge constrained self-consistent field with switching Gaussian polarized continuum models Journal of Chemical Theory and Computation. 9: 1125-1131. DOI: 10.1021/ct300700q  0.778
2012 Phillips H, Geva E, Dunietz BD. Calculating Off-Site Excitations in Symmetric Donor-Acceptor Systems via Time-Dependent Density Functional Theory with Range-Separated Density Functionals. Journal of Chemical Theory and Computation. 8: 2661-8. PMID 26592111 DOI: 10.1021/Ct300318G  0.762
2012 Zheng S, Phillips H, Geva E, Dunietz BD. Ab initio study of the emissive charge-transfer states of solvated chromophore-functionalized silsesquioxanes. Journal of the American Chemical Society. 134: 6944-7. PMID 22506687 DOI: 10.1021/Ja301442V  0.798
2012 Kwac K, Geva E. Mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon-tetrachloride mixtures II: excited state hydrogen bonding structure and dynamics, infrared emission spectrum, and excited state lifetime. The Journal of Physical Chemistry. B. 116: 2856-66. PMID 22283660 DOI: 10.1021/Jp211792J  0.779
2012 Phillips H, Zheng S, Hyla A, Laine R, Goodson T, Geva E, Dunietz BD. Ab initio calculation of the electronic absorption of functionalized octahedral silsesquioxanes via time-dependent density functional theory with range-separated hybrid functionals. The Journal of Physical Chemistry. A. 116: 1137-45. PMID 22191709 DOI: 10.1021/Jp208316T  0.8
2012 Phillips H, Geva E, Dunietz BD. Calculating off-site excitations in symmetric donor-acceptor systems via time-dependent density functional theory with range-separated density functionals Journal of Chemical Theory and Computation. 8: 2661-2668. DOI: 10.1021/ct300318g  0.724
2011 Vázquez FX, Talapatra S, Geva E. Vibrational energy relaxation in liquid HCl and DCl via the linearized semiclassical method: electrostriction versus quantum delocalization. The Journal of Physical Chemistry. A. 115: 9775-81. PMID 21770388 DOI: 10.1021/Jp203302A  0.776
2011 Kwac K, Geva E. A mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon tetrachloride mixtures: equilibrium hydrogen-bond structure and dynamics at the ground state and the infrared absorption spectrum. The Journal of Physical Chemistry. B. 115: 9184-94. PMID 21675789 DOI: 10.1021/Jp204245Z  0.765
2011 Baiz CR, Kubarych KJ, Geva E, Sibert EL. Local-mode approach to modeling multidimensional infrared spectra of metal carbonyls. The Journal of Physical Chemistry. A. 115: 5354-63. PMID 21545166 DOI: 10.1021/Jp201641H  0.368
2011 Baiz CR, Kubarych KJ, Geva E. Molecular theory and simulation of coherence transfer in metal carbonyls and its signature on multidimensional infrared spectra. The Journal of Physical Chemistry. B. 115: 5322-39. PMID 21375310 DOI: 10.1021/Jp109357D  0.476
2011 Hanna G, Geva E. Signature of nonadiabatic transitions on the pump-probe infrared spectra of a hydrogen-bonded complex dissolved in a polar solvent: a computational study. The Journal of Physical Chemistry. B. 115: 5191-200. PMID 20853862 DOI: 10.1021/Jp1061495  0.604
2010 Vázquez FX, Navrotskaya I, Geva E. Vibrational energy relaxation rates via the linearized semiclassical method without force derivatives. The Journal of Physical Chemistry. A. 114: 5682-8. PMID 20408597 DOI: 10.1021/Jp1010499  0.789
2010 Hanna G, Geva E. Computational study of the signature of hydrogen-bond strength on the infrared spectra of a hydrogen-bonded complex dissolved in a polar liquid Chemical Physics. 370: 201-207. DOI: 10.1016/J.Chemphys.2010.01.013  0.567
2009 McRobbie PL, Geva E. A benchmark study of different methods for calculating one- and two-dimensional optical spectra. The Journal of Physical Chemistry. A. 113: 10425-34. PMID 19775171 DOI: 10.1021/Jp905305T  0.805
2009 Baiz CR, McRobbie PL, Preketes NK, Kubarych KJ, Geva E. Two-dimensional infrared spectroscopy of dimanganese decacarbonyl and its photoproducts: an ab initio study. The Journal of Physical Chemistry. A. 113: 9617-23. PMID 19670842 DOI: 10.1021/Jp9054654  0.793
2009 Shi Q, Geva E. A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method. The Journal of Chemical Physics. 131: 034511. PMID 19624213 DOI: 10.1063/1.3176509  0.633
2009 McRobbie PL, Hanna G, Shi Q, Geva E. Signatures of nonequilibrium solvation dynamics on multidimensional spectra. Accounts of Chemical Research. 42: 1299-309. PMID 19552404 DOI: 10.1021/Ar800280S  0.823
2009 Hanna G, Geva E. Multidimensional spectra via the mixed quantum-classical Liouville method: signatures of nonequilibrium dynamics. The Journal of Physical Chemistry. B. 113: 9278-88. PMID 19530666 DOI: 10.1021/Jp902797Z  0.668
2009 Baiz CR, McRobbie PL, Anna JM, Geva E, Kubarych KJ. Two-dimensional infrared spectroscopy of metal carbonyls. Accounts of Chemical Research. 42: 1395-404. PMID 19453102 DOI: 10.1021/Ar9000263  0.798
2008 Hanna G, Geva E. Isotope effects on the vibrational relaxation and multidimensional infrared spectra of the hydrogen stretch in a hydrogen-bonded complex dissolved in a polar liquid. The Journal of Physical Chemistry. B. 112: 15793-800. PMID 19368017 DOI: 10.1021/Jp8072816  0.619
2008 Shi Q, Geva E. A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solution. II. The signature of excited state dynamics on two-dimensional spectra. The Journal of Chemical Physics. 129: 124505. PMID 19045034 DOI: 10.1063/1.2981566  0.655
2008 Hanna G, Geva E. Computational study of the one and two dimensional infrared spectra of a vibrational mode strongly coupled to its environment: beyond the cumulant and condon approximations. The Journal of Physical Chemistry. B. 112: 12991-3004. PMID 18800856 DOI: 10.1021/Jp804120V  0.638
2008 Hanna G, Geva E. Vibrational energy relaxation of a hydrogen-bonded complex dissolved in a polar liquid via the mixed quantum-classical Liouville method. The Journal of Physical Chemistry. B. 112: 4048-58. PMID 18331018 DOI: 10.1021/Jp076155B  0.651
2007 Navrotskaya I, Geva E. Comparison between the Landau-Teller and flux-flux methods for computing vibrational energy relaxation rate constants in the condensed phase. The Journal of Chemical Physics. 127: 054504. PMID 17688346 DOI: 10.1063/1.2753155  0.799
2007 Shang J, Geva E. Computational study of a single surface-immobilized two-stranded coiled-coil polypeptide. The Journal of Physical Chemistry. B. 111: 4178-88. PMID 17397215 DOI: 10.1021/Jp067138+  0.533
2007 Shang J, Geva E. Extracting the time scales of conformational dynamics from single-molecule single-photon fluorescence statistics. The Journal of Physical Chemistry. B. 111: 4220-6. PMID 17391019 DOI: 10.1021/Jp067657C  0.528
2007 Navrotskaya I, Geva E. Vibrational energy relaxation rates of H2 and D2 in liquid argon via the linearized semiclassical method. The Journal of Physical Chemistry. A. 111: 460-7. PMID 17228894 DOI: 10.1021/Jp066243G  0.798
2006 Ka BJ, Geva E. A nonperturbative calculation of nonlinear spectroscopic signals in liquid solution. The Journal of Chemical Physics. 125: 214501. PMID 17166027 DOI: 10.1063/1.2359440  0.775
2006 Ka BJ, Geva E. Classical vs quantum vibrational energy relaxation pathways in solvated polyatomic molecules. The Journal of Physical Chemistry. A. 110: 13131-8. PMID 17149825 DOI: 10.1021/Jp063907D  0.785
2006 Ka BJ, Zhang ML, Geva E. Homogeneity and Markovity of electronic dephasing in liquid solutions. The Journal of Chemical Physics. 125: 124509. PMID 17014193 DOI: 10.1063/1.2354155  0.795
2006 Zhang ML, Ka BJ, Geva E. Nonequilibrium quantum dynamics in the condensed phase via the generalized quantum master equation. The Journal of Chemical Physics. 125: 44106. PMID 16942133 DOI: 10.1063/1.2218342  0.804
2006 Ka BJ, Geva E. Vibrational energy relaxation of polyatomic molecules in liquid solution via the linearized semiclassical method. The Journal of Physical Chemistry. A. 110: 9555-67. PMID 16884188 DOI: 10.1021/Jp062363C  0.8
2006 Navrotskaya I, Geva E. The influence of nonbilinear system-bath coupling on quantum-mechanical activated rate processes Chemical Physics. 322: 223-235. DOI: 10.1016/J.Chemphys.2005.05.044  0.796
2005 Shang J, Geva E. A computational study of the correlations between structure and dynamics in free and surface-immobilized single polymer chains. The Journal of Physical Chemistry. B. 109: 16340-9. PMID 16853077 DOI: 10.1021/Jp052275C  0.53
2005 Wang D, Geva E. Protein structure and dynamics from single-molecule fluorescence resonance energy transfer. The Journal of Physical Chemistry. B. 109: 1626-34. PMID 16851134 DOI: 10.1021/Jp0478864  0.435
2005 Ka BJ, Shi Q, Geva E. Vibrational energy relaxation rates via the linearized semiclassical approximation: applications to neat diatomic liquids and atomic-diatomic liquid mixtures. The Journal of Physical Chemistry. A. 109: 5527-36. PMID 16833883 DOI: 10.1021/Jp051223K  0.817
2005 Shi Q, Geva E. A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solutions. The Journal of Chemical Physics. 122: 064506. PMID 15740387 DOI: 10.1063/1.1843813  0.639
2004 Shi Q, Geva E. A derivation of the mixed quantum-classical Liouville equation from the influence functional formalism. The Journal of Chemical Physics. 121: 3393-404. PMID 15303902 DOI: 10.1063/1.1771641  0.607
2004 Shi Q, Geva E. A semiclassical generalized quantum master equation for an arbitrary system-bath coupling. The Journal of Chemical Physics. 120: 10647-58. PMID 15268091 DOI: 10.1063/1.1738109  0.635
2004 Shi Q, Geva E. Nonradiative electronic relaxation rate constants from approximations based on linearizing the path-integral forward-backward action Journal of Physical Chemistry A. 108: 6109-6116. DOI: 10.1021/Jp049547G  0.627
2003 Shi Q, Geva E. A new approach to calculating the memory kernel of the generalized quantum master equation for an arbitrary system-bath coupling Journal of Chemical Physics. 119: 12063-12076. DOI: 10.1063/1.1624830  0.616
2003 Shi Q, Geva E. Stimulated Raman adiabatic passage in the presence of dephasing Journal of Chemical Physics. 119: 11773-11787. DOI: 10.1063/1.1623482  0.613
2003 Shi Q, Geva E. On the calculation of vibrational energy relaxation rate constants from centroid molecular dynamics simulations Journal of Chemical Physics. 119: 9030-9046. DOI: 10.1063/1.1613636  0.653
2003 Shi Q, Geva E. A relationship between semiclassical and centroid correlation functions Journal of Chemical Physics. 118: 8173-8184. DOI: 10.1063/1.1564814  0.593
2003 Shi Q, Geva E. Vibrational energy relaxation rate constants from linear response theory Journal of Chemical Physics. 118: 7562-7571. DOI: 10.1063/1.1562611  0.618
2003 Shi Q, Geva E. Vibrational Energy Relaxation in Liquid Oxygen from a Semiclassical Molecular Dynamics Simulation Journal of Physical Chemistry A. 107: 9070-9078. DOI: 10.1021/Jp0304982  0.619
2003 Shi Q, Geva E. Semiclassical Theory of Vibrational Energy Relaxation in the Condensed Phase Journal of Physical Chemistry A. 107: 9059-9069. DOI: 10.1021/Jp030497+  0.627
2002 Shi Q, Geva E. Centroid-based methods for calculating quantum reaction rate constants: Centroid sampling versus centroid dynamics Journal of Chemical Physics. 116: 3223-3233. DOI: 10.1063/1.1445120  0.643
2002 Navrotskaya I, Shi Q, Geva E. Quantum-mechanical reaction rate constants from centroid molecular dynamics simulations: Barrier crossing in an asymmetrical double-well Israel Journal of Chemistry. 42: 225-236. DOI: 10.1063/1.1412870  0.819
2001 Everitt KF, Geva E, Skinner JL. Determining the solvation correlation function from three-pulse photon echoes in liquids Journal of Chemical Physics. 114: 1326-1335. DOI: 10.1063/1.1332811  0.784
2000 Geva E, Rosenman E, Tannor D. On the second-order corrections to the quantum canonical equilibrium density matrix Journal of Chemical Physics. 113: 1380-1390. DOI: 10.1063/1.481928  0.664
2000 Kosloff R, Geva E, Gordon JM. Quantum refrigerators in quest of the absolute zero Journal of Applied Physics. 87: 8093-8097. DOI: 10.1063/1.373503  0.559
1998 Geva E, Skinner JL. Optical line shapes of single molecules in glasses: Temperature and scan-time dependence Journal of Chemical Physics. 109: 4920-4926. DOI: 10.1063/1.477103  0.507
1998 Geva E, Skinner JL. Two-pulse photon echoes from zinc-meso-tetraphenylporphine/polymethylmethacrylate are not consistent with the tunneling two-level system model The Journal of Chemical Physics. 108: 8485-8488. DOI: 10.1063/1.476277  0.53
1998 Skinner JL, Geva E. Single-molecule spectroscopy, photon echoes, and hole burning in low-temperature glasses Journal of Luminescence. 76: 270-273. DOI: 10.1016/S0022-2313(97)00151-8  0.54
1998 Geva E, Skinner JL. Two-state dynamics of single biomolecules in solution Chemical Physics Letters. 288: 225-229. DOI: 10.1016/S0009-2614(98)00322-4  0.542
1998 Geva E, Skinner JL. Single molecule spectral trajectories in low-temperature glasses Chemical Physics Letters. 287: 125-130. DOI: 10.1016/S0009-2614(98)00127-4  0.539
1997 Geva E, Skinner JL. Theory of photon echoes and hole burning in low temperature glasses: How good are the standard approximations? Journal of Chemical Physics. 107: 7630-7641. DOI: 10.1063/1.475112  0.576
1997 Geva E, Skinner JL. Theory of single-molecule optical line-shape distributions in low-temperature glasses Journal of Physical Chemistry B. 101: 8920-8932. DOI: 10.1021/Jp971722O  0.463
1996 Feldmann T, Geva E, Kosloff R, Salarnon P. Heat engines in finite time governed by master equations American Journal of Physics. 64: 485-492. DOI: 10.1119/1.18197  0.506
1996 Geva E, Skinner JL. On the distribution of single molecule line widths in low-temperature glasses Molecular Crystals and Liquid Crystals Science and Technology Section a: Molecular Crystals and Liquid Crystals. 291: 73-80. DOI: 10.1080/10587259608042733  0.522
1996 Geva E, Kosloff R. The quantum heat engine and heat pump: An irreversible thermodynamic analysis of the three-level amplifier Journal of Chemical Physics. 104: 7681-7699. DOI: 10.1063/1.471453  0.542
1996 Geva E, Reilly PD, Skinner JL. Spectral Dynamics of Individual Molecules in Glasses and Crystals Accounts of Chemical Research. 29: 579-584. DOI: 10.1021/Ar960179B  0.501
1995 Geva E, Kosloff R, Skinner JL. On the relaxation of a two-level system driven by a strong electromagnetic field The Journal of Chemical Physics. 102: 8541-8561. DOI: 10.1063/1.468844  0.639
1994 Geva E, Kosloff R. Three-level quantum amplifier as a heat engine: A study in finite-time thermodynamics. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 49: 3903-3918. PMID 9961678 DOI: 10.1103/Physreve.49.3903  0.573
1992 Geva E, Kosloff R. On the classical limit of quantum thermodynamics in finite time The Journal of Chemical Physics. 97: 4398-4412. DOI: 10.1063/1.463909  0.542
1992 Geva E, Kosloff R. A quantum-mechanical heat engine operating in finite time. a model consisting of spin-1/2 systems as the working fluid The Journal of Chemical Physics. 96: 3054-3067. DOI: 10.1063/1.461951  0.509
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