The Experts below are selected from a list of 270 Experts worldwide ranked by ideXlab platform
Peter Hamm - One of the best experts on this subject based on the ideXlab platform.
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a Feynman Diagram description of the 2d raman thz response of amorphous ice
Journal of Chemical Physics, 2020Co-Authors: David Sidler, Peter HammAbstract:The 2D-Raman-THz response in all possible time-orderings (Raman-THz-THz, THz-Raman-THz, and THz-THz-Raman) of amorphous water ice is calculated in two ways: from atomistic molecular dynamics simulations and with the help of a Feynman Diagram model, the latter of which power-expands the potential energy surface and the dipole and polarizability surfaces up to leading order. Comparing both results allows one to dissect the 2D-Raman-THz response into contributions from mechanical anharmonicity, as well as electrical dipole and polarizability anharmonicities. Mechanical anharmonicity dominates the 2D-Raman-THz response of the hydrogen-bond stretching and hydrogen-bond bending bands of water, and dipole anharmonicity dominates that of the librational band, while the contribution of polarizability anharmonicity is comparably weak. A distinct echo of the hydrogen-bond stretching band is observed for the THz-Raman-THz pulse sequence, again dominated by mechanical anharmonicity. A peculiar mechanism is discussed, which is based on the coupling between the many normal modes within the hydrogen-bond stretching band and which will inevitably generate such an echo for an amorphous structure.
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Feynman Diagram description of 2d raman thz spectroscopy applied to water
Journal of Chemical Physics, 2019Co-Authors: David Sidler, Peter HammAbstract:2D-Raman-THz spectroscopy of liquid water, which has been presented recently [J. Savolainen et al., Proc. Natl. Acad. Sci. U. S. A. 110, 20402 (2013)], directly probes the intermolecular degrees of freedom of the hydrogen-bond network. However, being a relatively new technique, its information content is not fully explored to date. While the spectroscopic signal can be simulated based on molecular dynamics simulation in connection with a water force field, it is difficult to relate spectroscopic signatures to the underlying microscopic features of the force field. Here, a completely different approach is taken that starts from an as simple as possible model, i.e., a single vibrational mode with electrical and mechanical anharmonicity augmented with homogeneous and inhomogeneous broadening. An intuitive Feynman Diagram picture is developed for all possible pulse sequences of hybrid 2D-Raman-THz spectroscopy. It is shown that the model can explain the experimental data essentially quantitatively with a very small set of parameters, and it is tentatively concluded that the experimental signal originates from the hydrogen-bond stretching vibration around 170 cm−1. Furthermore, the echo observed in the experimental data can be quantified by fitting the model. A dominant fraction of its linewidth is attributed to quasi-inhomogeneous broadening in the slow-modulation limit with a correlation time of 370 fs, reflecting the lifetime of the hydrogen-bond networks giving rise to the absorption band.2D-Raman-THz spectroscopy of liquid water, which has been presented recently [J. Savolainen et al., Proc. Natl. Acad. Sci. U. S. A. 110, 20402 (2013)], directly probes the intermolecular degrees of freedom of the hydrogen-bond network. However, being a relatively new technique, its information content is not fully explored to date. While the spectroscopic signal can be simulated based on molecular dynamics simulation in connection with a water force field, it is difficult to relate spectroscopic signatures to the underlying microscopic features of the force field. Here, a completely different approach is taken that starts from an as simple as possible model, i.e., a single vibrational mode with electrical and mechanical anharmonicity augmented with homogeneous and inhomogeneous broadening. An intuitive Feynman Diagram picture is developed for all possible pulse sequences of hybrid 2D-Raman-THz spectroscopy. It is shown that the model can explain the experimental data essentially quantitatively with a very...
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Feynman Diagram description of 2d raman thz spectroscopy applied to water
arXiv: Chemical Physics, 2018Co-Authors: David Sidler, Peter HammAbstract:2D-Raman-THz spectroscopy of liquid water, which has been presented recently (Proc. Natl. Acad. Sci. USA 110, 20402 (2013)), directly probes the intermolecular degrees of freedom of the hydrogen-bond network. However, being a relatively new technique, its information content is not fully explored as to date. While the spectroscopic signal can be simulated based on molecular dynamics simulation in connection with a water force field, it is difficult to relate spectroscopic signatures to the underlying microscopic features of the force field. Here, a completely different approach is taken that starts from an as simple as possible model, i.e., a single vibrational mode with electrical and mechanical anharmonicity augmented with homogeneous and inhomogeneous broadening. An intuitive Feynman Diagram picture is developed for all possible pulse sequences of hybrid 2D-Raman-THz spectroscopy. It is shown that the model can explain the experimental data essentially quantitatively with a very small set of parameters, and it is tentatively concluded that the experimental signal originates from the hydrogen-bond stretching vibration around 170 cm$^{-1}$. Furthermore, the echo observed in the experimental data can be quantified by fitting the model. A dominant fraction of its linewidth is attributed to quasi-inhomogeneous broadening in the slow-modulation limit with a correlation time of 370 fs, reflecting the lifetime of the hydrogen-bond networks giving rise the absorption band.
David Sidler - One of the best experts on this subject based on the ideXlab platform.
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a Feynman Diagram description of the 2d raman thz response of amorphous ice
Journal of Chemical Physics, 2020Co-Authors: David Sidler, Peter HammAbstract:The 2D-Raman-THz response in all possible time-orderings (Raman-THz-THz, THz-Raman-THz, and THz-THz-Raman) of amorphous water ice is calculated in two ways: from atomistic molecular dynamics simulations and with the help of a Feynman Diagram model, the latter of which power-expands the potential energy surface and the dipole and polarizability surfaces up to leading order. Comparing both results allows one to dissect the 2D-Raman-THz response into contributions from mechanical anharmonicity, as well as electrical dipole and polarizability anharmonicities. Mechanical anharmonicity dominates the 2D-Raman-THz response of the hydrogen-bond stretching and hydrogen-bond bending bands of water, and dipole anharmonicity dominates that of the librational band, while the contribution of polarizability anharmonicity is comparably weak. A distinct echo of the hydrogen-bond stretching band is observed for the THz-Raman-THz pulse sequence, again dominated by mechanical anharmonicity. A peculiar mechanism is discussed, which is based on the coupling between the many normal modes within the hydrogen-bond stretching band and which will inevitably generate such an echo for an amorphous structure.
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Feynman Diagram description of 2d raman thz spectroscopy applied to water
Journal of Chemical Physics, 2019Co-Authors: David Sidler, Peter HammAbstract:2D-Raman-THz spectroscopy of liquid water, which has been presented recently [J. Savolainen et al., Proc. Natl. Acad. Sci. U. S. A. 110, 20402 (2013)], directly probes the intermolecular degrees of freedom of the hydrogen-bond network. However, being a relatively new technique, its information content is not fully explored to date. While the spectroscopic signal can be simulated based on molecular dynamics simulation in connection with a water force field, it is difficult to relate spectroscopic signatures to the underlying microscopic features of the force field. Here, a completely different approach is taken that starts from an as simple as possible model, i.e., a single vibrational mode with electrical and mechanical anharmonicity augmented with homogeneous and inhomogeneous broadening. An intuitive Feynman Diagram picture is developed for all possible pulse sequences of hybrid 2D-Raman-THz spectroscopy. It is shown that the model can explain the experimental data essentially quantitatively with a very small set of parameters, and it is tentatively concluded that the experimental signal originates from the hydrogen-bond stretching vibration around 170 cm−1. Furthermore, the echo observed in the experimental data can be quantified by fitting the model. A dominant fraction of its linewidth is attributed to quasi-inhomogeneous broadening in the slow-modulation limit with a correlation time of 370 fs, reflecting the lifetime of the hydrogen-bond networks giving rise to the absorption band.2D-Raman-THz spectroscopy of liquid water, which has been presented recently [J. Savolainen et al., Proc. Natl. Acad. Sci. U. S. A. 110, 20402 (2013)], directly probes the intermolecular degrees of freedom of the hydrogen-bond network. However, being a relatively new technique, its information content is not fully explored to date. While the spectroscopic signal can be simulated based on molecular dynamics simulation in connection with a water force field, it is difficult to relate spectroscopic signatures to the underlying microscopic features of the force field. Here, a completely different approach is taken that starts from an as simple as possible model, i.e., a single vibrational mode with electrical and mechanical anharmonicity augmented with homogeneous and inhomogeneous broadening. An intuitive Feynman Diagram picture is developed for all possible pulse sequences of hybrid 2D-Raman-THz spectroscopy. It is shown that the model can explain the experimental data essentially quantitatively with a very...
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Feynman Diagram description of 2d raman thz spectroscopy applied to water
arXiv: Chemical Physics, 2018Co-Authors: David Sidler, Peter HammAbstract:2D-Raman-THz spectroscopy of liquid water, which has been presented recently (Proc. Natl. Acad. Sci. USA 110, 20402 (2013)), directly probes the intermolecular degrees of freedom of the hydrogen-bond network. However, being a relatively new technique, its information content is not fully explored as to date. While the spectroscopic signal can be simulated based on molecular dynamics simulation in connection with a water force field, it is difficult to relate spectroscopic signatures to the underlying microscopic features of the force field. Here, a completely different approach is taken that starts from an as simple as possible model, i.e., a single vibrational mode with electrical and mechanical anharmonicity augmented with homogeneous and inhomogeneous broadening. An intuitive Feynman Diagram picture is developed for all possible pulse sequences of hybrid 2D-Raman-THz spectroscopy. It is shown that the model can explain the experimental data essentially quantitatively with a very small set of parameters, and it is tentatively concluded that the experimental signal originates from the hydrogen-bond stretching vibration around 170 cm$^{-1}$. Furthermore, the echo observed in the experimental data can be quantified by fitting the model. A dominant fraction of its linewidth is attributed to quasi-inhomogeneous broadening in the slow-modulation limit with a correlation time of 370 fs, reflecting the lifetime of the hydrogen-bond networks giving rise the absorption band.
Alex Pang - One of the best experts on this subject based on the ideXlab platform.
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A spinor technique in symbolic Feynman Diagram calculation mesons
Journal of Computational Physics, 1994Co-Authors: Alex PangAbstract:The authors present a recursive Diagrammatic method for evaluating tree-level Feynman Diagrams involving multi-fermions which interact through gauge bosons (gluons or photons). Based on this method, a package called COMPUTE, which can generate and calculate all the possible Feynman Diagrams for exclusive processes in perturbative QCD, has been developed (available in both Mathematics and Maple). As an example, a calculation of the nucleon Compton scattering amplitude is given.
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A Spinor Technique in Symbolic Feynman Diagram Calculation
Journal of Computational Physics, 1994Co-Authors: Alex PangAbstract:We present a recursive Diagrammatic method for evaluating tree-level Feynman Diagrams involving multi-fermions which interact through gauge bosons (gluons or photons). Based on this method, a package called COMPUTE, which can generate and calculate all the possible Feynman Diagrams for exclusive processes in perturbative QCD, has been developed (available in both Mathematica and Maple ). As an example, a calculation of the nucleon Compton scattering amplitude is given.
D Kreimer - One of the best experts on this subject based on the ideXlab platform.
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xloops automated Feynman Diagram calculation
Computer Physics Communications, 1998Co-Authors: L Brucher, J Franzkowski, D KreimerAbstract:The program package xloops, a general, model independent tool for the calculation of high energy processes up to the two-loop level, is introduced. xloops calculates massive one- and two-loop Feynman Diagrams in the standard model and related theories both analytically and numerically. A user-friendly Xwindows frontend is part of the package. xloops relies on the application of parallel space techniques. The treatment of tensor structure and the separation of divergences in analytic expressions is described in this scheme. All analytic calculations are performed with Maple. We describe the mathematical methods and computer algebra techniques xloops uses and give a brief introduction how to use the program. c 1998 Elsevier Science B.V. All rights reserved.
Emmanouil Sfinarolakis - One of the best experts on this subject based on the ideXlab platform.
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Symmetry Factors of Feynman Diagrams and the Homological Perturbation Lemma
Journal of High Energy Physics, 2020Co-Authors: Christian Saemann, Emmanouil SfinarolakisAbstract:We discuss the symmetry factors of Feynman Diagrams of scalar field theories with polynomial potential. After giving a concise general formula for them, we present an elementary and direct proof that when computing scattering amplitudes using the homological perturbation lemma, each contributing Feynman Diagram is indeed included with the correct symmetry factor.