D. Babikov

发表

Several levels of theory for description of isotope effects in ozone: Effect of resonance lifetimes and channel couplings.

A. Teplukhin, I. Gayday, D. Babikov, 2018, The Journal of chemical physics.

Temperature-dependent far-infrared spectra of single crystals of high explosives using terahertz time-domain spectroscopy.

Jeffrey Barber, Dmitri Babikov, Daniel E Hooks, 2005, The journal of physical chemistry. A.

A full-dimensional model of ozone forming reaction: the absolute value of the recombination rate coefficient, its pressure and temperature dependencies.

A. Teplukhin, D. Babikov, 2016, Physical chemistry chemical physics : PCCP.

Complexity and simplicity of optimal control theory pulses shaped for controlling vibrational qubits.

D. Babikov, Dmytro Shyshlov, 2012, The Journal of chemical physics.

On the electron-induced isotope fractionation in low temperature (32)O(2)/(36)O(2) ices--ozone as a case study.

N. Mason, R. Kaiser, A. Mebel, 2011, Physical chemistry chemical physics : PCCP.

New H2O–H2O collisional rate coefficients for cometary applications

M. Dubernet, D. Babikov, C. Boursier, 2020, Monthly Notices of the Royal Astronomical Society.

Solving complex eigenvalue problems on a quantum annealer with applications to quantum scattering resonances.

A. Teplukhin, D. Babikov, B. Kendrick, 2020, Physical chemistry chemical physics : PCCP.

Computational study of cold ions trapped in a double-well potential

D. Babikov, Dmytro Shyshlov, 2018, Molecular Physics.

Dalitz plot analysis of three-body fragmentation of Na 3 + excited by He impact

D. Babikov, E. Gislason, Y. J. Picard, 2002 .

Feasibility of encoding Shor's algorithm into the motional states of an ion in the anharmonic trap.

Lei Wang, D. Babikov, 2012, The Journal of chemical physics.

High fidelity quantum gates with vibrational qubits.

M. Gruebele, Lei Wang, D. Babikov, 2012, The journal of physical chemistry. A.

Chain formation as a mechanism for mass-independent fractionation of sulfur isotopes in the Archean atmosphere

J. Kasting, A. Pavlov, D. Babikov, 2018, Earth and Planetary Science Letters.

Mixed Quantum/Classical Theory for Collisional Quenching of PAHs in the Interstellar Media

D. Babikov, A. Semenov, Bikramaditya Mandal, 2022, ACS Earth and Space Chemistry.

Accurate Calculations of Rotationally Inelastic Scattering Cross Sections Using Mixed Quantum/Classical Theory.

D. Babikov, A. Semenov, 2014, The journal of physical chemistry letters.

MQCT. I. Inelastic Scattering of Two Asymmetric-Top Rotors with Application to H2O + H2O.

D. Babikov, A. Semenov, 2017, The journal of physical chemistry. A.

Inelastic Scattering of Identical Molecules within Framework of the Mixed Quantum/Classical Theory: Application to Rotational Excitations in H2 + H2.

D. Babikov, A. Semenov, 2016, The journal of physical chemistry. A.

Recent Advances in Development and Applications of the Mixed Quantum/Classical Theory for Inelastic Scattering.

D. Babikov, A. Semenov, 2016, The journal of physical chemistry. A.

Mixed Quantum/Classical Theory for Molecule-Molecule Inelastic Scattering: Derivations of Equations and Application to N2 + H2 System.

D. Babikov, A. Semenov, 2015, The journal of physical chemistry. A.

Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H₂O + He system.

M. Dubernet, D. Babikov, A. Semenov, 2014, The Journal of chemical physics.

Entrance channel localized states in ozone: Possible application to helium nanodroplet isolation spectroscopy

D. Babikov, 2003 .

Calculations of Differential Cross Sections Using Mixed Quantum/Classical Theory of Inelastic Scattering.

D. Babikov, A. Semenov, Bikramaditya Mandal, 2018, The journal of physical chemistry. A.

Potential energy and dipole moment surfaces of HCO- for the search of H- in the interstellar medium.

D. Babikov, O. Dulieu, V. Kokoouline, 2012, The Journal of chemical physics.

Three sources of errors in the Ehrenfest treatment of inelastic scattering and possible ways of resolving them.

D. Babikov, A. Semenov, 2017, The Journal of chemical physics.

Theory for the nonadiabatic multichannel fragmentation of the Na3+ cluster ion following collision with a He atom

D. Babikov, E. Gislason, V. Sidis, 2000 .

Efficient quantum-classical method for computing thermal rate constant of recombination: application to ozone formation.

D. Babikov, M. Ivanov, 2012, The Journal of chemical physics.

Recombination reactions as a possible mechanism of mass-independent fractionation of sulfur isotopes in the Archean atmosphere of Earth

D. Babikov, 2017, Proceedings of the National Academy of Sciences.

On molecular origin of mass-independent fractionation of oxygen isotopes in the ozone forming recombination reaction

D. Babikov, M. Ivanov, 2013, Proceedings of the National Academy of Sciences.

Semiclassical wave packet treatment of scattering resonances: application to the delta zero-point energy effect in recombination reactions.

D. Babikov, E. Vetoshkin, 2007, Physical review letters.

Quantum origin of an anomalous isotope effect in ozone formation

R. T. Pack, R. Schinke, D. Babikov, 2003 .

Visualization of Potential Energy Function Using an Isoenergy Approach and 3D Prototyping

A. Teplukhin, D. Babikov, 2015 .

Calculation of molecular vibrational spectra on a quantum annealer.

Dmitri Babikov, Brian K. Kendrick, Alexander Teplukhin, 2018, Journal of chemical theory and computation.

Adiabatic coherent control in the anharmonic ion trap: Proposal for the vibrational two-qubit system

Lei Wang, D. Babikov, 2011 .

Adiabatic Trajectory Approximation within the Framework of Mixed Quantum/Classical Theory.

D. Babikov, A. Semenov, Bikramaditya Mandal, 2020, The journal of physical chemistry. A.

MQCT: User-ready program for calculations of inelastic scattering of two molecules

Alexander Semenov, Bikramaditya Mandal, Dmitri Babikov, 2020, Comput. Phys. Commun..

Cyclic-N3. II. Significant geometric phase effects in the vibrational spectra.

K. Morokuma, Peng Zhang, D. Babikov, 2005, The Journal of chemical physics.

Interactive tool for visualization of adiabatic adjustment in APH coordinates for computational studies of vibrational motion and chemical reactions

A. Teplukhin, D. Babikov, 2014 .

Theoretical Treatment of the Coriolis Effect Using Hyperspherical Coordinates, with Application to the Ro-Vibrational Spectrum of Ozone.

A. Teplukhin, I. Gayday, D. Babikov, 2020, The journal of physical chemistry. A.

SpectrumSDT: A program for parallel calculation of coupled rotational-vibrational energies and lifetimes of bound states and scattering resonances in triatomic systems

Jonathan Moussa, Dmitri Babikov, Alexander Teplukhin, 2021, Comput. Phys. Commun..

Efficient Method for an Approximate Treatment of the Coriolis Effect in Calculations of Quantum Dynamics and Spectroscopy, with Application to Scattering Resonances in Ozone.

I. Gayday, D. Babikov, 2021, The journal of physical chemistry. A.

The role of rotation-vibration coupling in symmetric and asymmetric isotopomers of ozone.

A. Teplukhin, I. Gayday, D. Babikov, 2020, The Journal of chemical physics.

Several Levels of Theory for Description of Isotope Effects in Ozone: Symmetry Effect and Mass Effect.

A. Teplukhin, D. Babikov, 2018, The journal of physical chemistry. A.

Efficient method for calculations of ro-vibrational states in triatomic molecules near dissociation threshold: Application to ozone

A. Teplukhin, D. Babikov, 2016 .

Mixed quantum/classical theory of rotationally and vibrationally inelastic scattering in space-fixed and body-fixed reference frames.

D. Babikov, A. Semenov, 2013, The Journal of chemical physics.

The infrared spectrum of cyclic-N3: theoretical prediction.

D. Babikov, B. Kendrick, 2010, The Journal of chemical physics.

The photoelectron spectrum of elusive cyclic-N3 and characterization of the potential energy surface and vibrational states of the ion.

A. Krylov, D. Babikov, V. Mozhayskiy, 2006, The Journal of chemical physics.

Formation of ozone: Metastable states and anomalous isotope effect

Robert B. Walker, Dmitri Babikov, Brian K. Kendrick, 2003 .

Metastable states of ozone calculated on an accurate potential energy surface

Robert B. Walker, Dmitri Babikov, Brian K. Kendrick, 2003 .

A theoretical description of multi-channel fragmentation of the Na3+ cluster-ion in collision with a He target

D. Babikov, V. Sidis, M. Sizun, 1999 .

Four Isotope-Labeled Recombination Pathways of Ozone Formation

A. Teplukhin, I. Gayday, D. Babikov, 2021, Molecules.

Influence of the Coriolis effect on the properties of scattering resonances in symmetric and asymmetric isotopomers of ozone.

I. Gayday, D. Babikov, E. Grushnikova, 2020, Physical chemistry chemical physics : PCCP.

The ratio of the number of states in asymmetric and symmetric ozone molecules deviates from the statistical value of 2.

A. Teplukhin, I. Gayday, D. Babikov, 2019, The Journal of chemical physics.

Properties of Feshbach and "shape"-resonances in ozone and their role in recombination reactions and anomalous isotope effects.

A. Teplukhin, D. Babikov, 2018, Faraday discussions.

Improved Potential Energy Surface of Ozone Constructed Using the Fitting by Permutationally Invariant Polynomial Function

D. Babikov, M. Ayouz, 2012 .

Frozen rotor approximation in the mixed quantum/classical theory for collisional energy transfer: application to ozone stabilization.

A. Teplukhin, D. Babikov, M. Ivanov, 2013, The Journal of chemical physics.

Accuracy of gates in a quantum computer based on vibrational eigenstates.

D. Babikov, 2004, The Journal of chemical physics.

Triple oxygen isotope constraints on atmospheric O2 and biological productivity during the mid-Proterozoic

Peng Liu, J. Kasting, R. Najjar, 2021, Proceedings of the National Academy of Sciences.

One possible source of mass-independent fractionation of sulfur isotopes in the Archean atmosphere of Earth

A. Teplukhin, D. Babikov, A. Semenov, 2017 .

On stabilization of scattering resonances in recombination reaction that forms ozone.

D. Babikov, M. Ivanov, 2016, The Journal of chemical physics.

Global permutationally invariant potential energy surface for ozone forming reaction.

D. Babikov, M. Ayouz, 2013, The Journal of chemical physics.

Collisional stabilization of van der Waals states of ozone.

D. Babikov, M. Ivanov, 2011, The Journal of chemical physics.

Mixed quantum-classical theory for the collisional energy transfer and the rovibrational energy flow: application to ozone stabilization.

D. Babikov, M. Ivanov, 2011, The Journal of chemical physics.

Computational analysis of vibrational modes in tetra-sulfur using dimensionally reduced potential energy surface

A. Teplukhin, I. Gayday, D. Babikov, 2019, Molecular Physics.

Mixed quantum/classical calculations of total and differential elastic and rotationally inelastic scattering cross sections for light and heavy reduced masses in a broad range of collision energies.

D. Babikov, A. Semenov, 2014, The Journal of chemical physics.

Conical and glancing Jahn-Teller intersections in the cyclic trinitrogen cation.

A. Krylov, D. Babikov, V. Mozhayskiy, 2006, The Journal of chemical physics.

Binding-energy predictions of positronium-atom systems

Xiang Cheng, D. Babikov, D. M. Schrader, 2012 .

Equivalence of the Ehrenfest theorem and the fluid-rotor model for mixed quantum∕classical theory of collisional energy transfer.

D. Babikov, A. Semenov, 2013, The Journal of chemical physics.

Cyclic-N3. I. An accurate potential energy surface for the ground doublet electronic state up to the energy of the 2A2/2B1 conical intersection.

K. Morokuma, Peng Zhang, D. Babikov, 2004, Journal of Chemical Physics.

On readout of vibrational qubits using quantum beats.

M. Gruebele, D. Babikov, Dmytro Shyshlov, 2014, The Journal of chemical physics.

On the role of vibrational anharmonicities in a two-qubit system.

D. Babikov, Yingying Gu, 2009, The Journal of chemical physics.

Anharmonic properties of the vibrational quantum computer.

D. Babikov, Meiyu Zhao, 2007, The Journal of chemical physics.

Rotational quenching of H2O by He: mixed quantum/classical theory and comparison with quantum results.

M. Dubernet, D. Babikov, M. Ivanov, 2014, The Journal of chemical physics.

Binding-energy predictions of positrons and atoms

D. Babikov, D. M. Schrader, Cheng Xiang, 2011 .

Phase control in the vibrational qubit.

D. Babikov, Meiyu Zhao, 2006, The Journal of chemical physics.

A reduced dimensionality model of ozone: Semiclassical treatment of van der Waals states

D. Babikov, Leidi Jiang, 2009 .

Semiclassical wave packet study of anomalous isotope effect in ozone formation.

D. Babikov, E. Vetoshkin, 2007, The Journal of chemical physics.

Semiclassical wave packet study of ozone forming reaction.

D. Babikov, E. Vetoshkin, 2006, The Journal of chemical physics.

Molecular dynamics on quantum annealers pdf

Sergei Tretiak, Pavel A. Dub, Susan M. Mniszewski, 2021, Scientific Reports.

Coherent and optimal control of adiabatic motion of ions in a trap

D. Babikov, Meiyu Zhao, 2008 .

Ro-vibrational quenching of CO (v = 1) by He impact in a broad range of temperatures: A benchmark study using mixed quantum/classical inelastic scattering theory.

D. Babikov, A. Semenov, M. Ivanov, 2013, The Journal of chemical physics.

Mixed Quantum/Classical Approach for Description of Molecular Collisions in Astrophysical Environments.

D. Babikov, A. Semenov, 2015, The journal of physical chemistry letters.

A quantum symmetry preserving semiclassical method

R. T. Pack, D. Babikov, R. Walker, 2002 .

Adiabatic coherent control in the anharmonic ion trap: Numerical analysis of vibrational anharmonicities

Lei Wang, D. Babikov, 2011 .

Improved temperature dependence of rate coefficients for rotational state-to-state transitions in H2O + H2O collisions

D. Babikov, Bikramaditya Mandal, 2023, Astronomy & Astrophysics.

Description of quantum interference using mixed quantum/classical theory of inelastic scattering.

D. Babikov, Bikramaditya Mandal, Carol Joy, 2023, Physical chemistry chemical physics : PCCP.

Mixed quantum/classical theory for rotational energy exchange in symmetric-top-rotor + linear-rotor collisions and a case study of the ND3 + D2 system.

D. Babikov, Bikramaditya Mandal, Carol Joy, 2023, Physical chemistry chemical physics : PCCP.

Mixed quantum/classical theory of rotationally and vibrationally inelastic scattering in space-fixed and body-fixed reference frames.

D. Babikov, A. Semenov, 2013, The Journal of chemical physics.

Equivalence of the Ehrenfest theorem and the fluid-rotor model for mixed quantum∕classical theory of collisional energy transfer.

D. Babikov, A. Semenov, 2013, The Journal of chemical physics.

Mixed quantum/classical calculations of total and differential elastic and rotationally inelastic scattering cross sections for light and heavy reduced masses in a broad range of collision energies.

D. Babikov, A. Semenov, 2014, The Journal of chemical physics.

Perturbation theory treatment of pseudorotation in cyclic-N3.

D. Babikov, 2011, The Journal of chemical physics.

Ro-vibrational quenching of CO (v = 1) by He impact in a broad range of temperatures: A benchmark study using mixed quantum/classical inelastic scattering theory.

D. Babikov, A. Semenov, M. Ivanov, 2013, The Journal of chemical physics.

Influence of the Coriolis eﬀect on the properties of scattering resonances in symmetric and asymmetric isotopomers of ozone †

I. Gayday, D. Babikov, E. Grushnikova, 2022 .

On molecular origin of mass-independent fractionation of oxygen isotopes in the ozone forming recombination reaction

D. Babikov, M. Ivanov, 2013, Proceedings of the National Academy of Sciences.