Simulation of X-ray transient absorption for following vibrations in coherently ionized F2 molecules (English)
- New search for: Dutoi, Anthony D.
- New search for: Leone, Stephen R.
- New search for: Dutoi, Anthony D.
- New search for: Leone, Stephen R.
In:
Chemical Physics
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482
;
249-264
;
2016
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Simulation of X-ray transient absorption for following vibrations in coherently ionized F2 molecules
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Contributors:Dutoi, Anthony D. ( author ) / Leone, Stephen R. ( author )
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Published in:Chemical Physics ; 482 ; 249-264
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Publisher:
- New search for: Elsevier B.V.
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Publication date:2016-01-01
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Size:16 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 482
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Electrons and nuclei in motion: Correlation and dynamics in moleculesDreuw, Andreas / Sommerfeld, Thomas / Moiseyev, Nimrod / Köppel, Horst et al. | 2016
- 3
-
Pruned bases that are compatible with iterative eigensolvers and general potentials: New results for CH3CNAvila, Gustavo / Carrington, Tucker Jr. et al. | 2016
- 9
-
The DNA nucleobase thymine in motion – Intersystem crossing simulated with surface hoppingMai, Sebastian / Richter, Martin / Marquetand, Philipp / González, Leticia et al. | 2016
- 16
-
Ultrafast exciton migration in an HJ-aggregate: Potential surfaces and quantum dynamicsBinder, Robert / Polkehn, Matthias / Ma, Tianji / Burghardt, Irene et al. | 2016
- 27
-
Theoretical study of the initial non-radiative 1 Bu→2 Ag transition in the fluorescence quenching of s-trans-butadiene: Electronic structure methods and quantum dynamicsKomainda, A. / Lefrancois, D. / Dreuw, A. / Köppel, H. et al. | 2016
- 39
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On the Jahn–Teller effect in the electronic ground state of CH3F+Sarkar, Rudraditya / Rajagopala Reddy, S. / Mahapatra, S. / Köppel, H. et al. | 2016
- 52
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Using quantum dynamics simulations to follow the competition between charge migration and charge transfer in polyatomic moleculesSpinlove, K.E. / Vacher, M. / Bearpark, M. / Robb, M.A. / Worth, G.A. et al. | 2016
- 64
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On the time-dependent calculation of angular averaged vibronic absorption spectra with an application to molecular aggregatesBrüning, Christoph / Engel, Volker et al. | 2016
- 69
-
A novel system-bath Hamiltonian for vibration-phonon coupling: Formulation, and application to the relaxation of Si–H and Si–D bending modes of H/D:Si(100)-(2×1)Lorenz, U. / Saalfrank, P. et al. | 2016
- 81
-
Vibrational energy transport in molecules and the statistical properties of vibrational modesPandey, Hari Datt / Leitner, David M. et al. | 2016
- 86
-
Vibrational energy transport in acetylbenzonitrile described by an ab initio-based quantum tier modelFujisaki, Hiroshi / Yagi, Kiyoshi / Kikuchi, Hiroto / Takami, Toshiya / Stock, Gerhard et al. | 2016
- 93
-
A Spin-Boson Screening approach for unraveling dominant vibrational energy transfer pathways in molecular materialsChuntonov, Lev / Peskin, Uri et al. | 2016
- 100
-
On the infrared absorption spectrum of the hydrated hydroxide () cluster anionPeláez, Daniel / Meyer, Hans-Dieter et al. | 2016
- 106
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H+CH4→H2+CH3 initial state-selected reaction probabilities on different potential energy surfacesEllerbrock, Roman / Manthe, Uwe et al. | 2016
- 113
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Towards a systematic convergence of Multi-Layer (ML) Multi-Configuration Time-Dependent Hartree nuclear wavefunctions: The ML-spawning algorithmMendive-Tapia, David / Firmino, Thiago / Meyer, Hans-Dieter / Gatti, Fabien et al. | 2016
- 124
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An analysis of nonadiabatic ring-polymer molecular dynamics and its application to vibronic spectraRichardson, Jeremy O. / Meyer, Philipp / Pleinert, Marc-Oliver / Thoss, Michael et al. | 2016
- 135
-
Strong field control of the interatomic Coulombic decay process in quantum dotsHaller, Anika / Chiang, Ying-Chih / Menger, Maximilian / Aziz, Emad F. / Bande, Annika et al. | 2016
- 146
-
Quantum control of electronic fluxes during adiabatic attosecond charge migration in degenerate superposition states of benzeneJia, Dongming / Manz, Jörn / Paulus, Beate / Pohl, Vincent / Tremblay, Jean Christophe / Yang, Yonggang et al. | 2016
- 160
-
Auger decay rates of core hole states using equation of motion coupled cluster methodGhosh, Aryya / Vaval, Nayana / Pal, Sourav et al. | 2016
- 165
-
Fluorescence cascades evoked by resonant interatomic Coulombic decay of inner-valence excited neon clustersHans, Andreas / Ben Ltaief, Ltaief / Förstel, Marko / Schmidt, Philipp / Ozga, Christian / Reiß, Philipp / Holzapfel, Xaver / Küstner-Wetekam, Catmarna / Wiegandt, Florian / Trinter, Florian et al. | 2016
- 169
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Low-lying π∗ resonances associated with cyano groups: A CAP/SAC-CI studyEhara, Masahiro / Kanazawa, Yuki / Sommerfeld, Thomas et al. | 2016
- 178
-
Ion pair formation in the NeAr dimer irradiated by monochromatic soft X-raysOuchi, T. / Stumpf, V. / Miteva, T. / Fukuzawa, H. / Sakai, K. / Liu, X.-J. / Mazza, T. / Schöffler, M. / Iwayama, H. / Nagaya, K. et al. | 2016
- 185
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A comprehensive study of Interatomic Coulombic Decay in argon dimers: Extracting R-dependent absolute decay rates from the experimentRist, J. / Miteva, T. / Gaire, B. / Sann, H. / Trinter, F. / Keiling, M. / Gehrken, N. / Moradmand, A. / Berry, B. / Zohrabi, M. et al. | 2016
- 192
-
Electron transfer mediated decay in NeXe triggered by K-LL Auger decay of NeStumpf, Vasili / Scheit, Simona / Kolorenč, Přemysl / Gokhberg, Kirill et al. | 2016
- 201
-
The complex-scaled multiconfigurational spin-tensor electron propagator method for low-lying shape resonances in Be−, Mg− and Ca−Tsogbayar, Tsednee / Yeager, Danny L. et al. | 2016
- 208
-
On the computations of decay widths of Fano resonancesMiteva, T. / Kazandjian, S. / Sisourat, N. et al. | 2016
- 216
-
Electronic decay through carbon chainsKuleff, Alexander I. et al. | 2016
- 221
-
Interatomic Coulombic Decay of HeNe dimers after ionization and excitation of He and NeSann, H. / Havermeier, T. / Kim, H.-K. / Sturm, F. / Trinter, F. / Waitz, M. / Zeller, S. / Ulrich, B. / Meckel, M. / Voss, S. et al. | 2016
- 226
-
Theoretical and experimental investigation of Electron Transfer Mediated Decay in ArKr clustersFasshauer, Elke / Förstel, Marko / Mucke, Melanie / Arion, Tiberiu / Hergenhahn, Uwe et al. | 2016
- 239
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Stabilization calculations of the low-lying temporary anions states of Be, Mg, and CaFalcetta, Michael F. / Reilly, Nathan D. / Jordan, Kenneth D. et al. | 2016
- 244
-
Interatomic Coulombic decay and electron-transfer-mediated decay following triple ionization of Ne2 and NeArOuchi, T. / Fukuzawa, H. / Sakai, K. / Mazza, T. / Schöffler, M. / Nagaya, K. / Tamenori, Y. / Saito, N. / Ueda, K. et al. | 2016
- 249
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Simulation of X-ray transient absorption for following vibrations in coherently ionized F2 moleculesDutoi, Anthony D. / Leone, Stephen R. et al. | 2016
- 265
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Charge-transfer contributions to the excitonic coupling matrix element in BODIPY-based energy transfer cassettesSpiegel, J. Dominik / Lyskov, Igor / Kleinschmidt, Martin / Marian, Christel M. et al. | 2016
- 277
-
Reflections on one dimensional transmissionKlaiman, Shachar et al. | 2016
- 286
-
Algebraic diagrammatic construction for the polarization propagator with spin-orbit couplingKrauter, Caroline M. / Schimmelpfennig, Bernd / Pernpointner, Markus / Dreuw, Andreas et al. | 2016
- 294
-
Photoelectron circular dichroism of isopropanolamineCatone, D. / Turchini, S. / Contini, G. / Prosperi, T. / Stener, M. / Decleva, P. / Zema, N. et al. | 2016
- 303
-
Collective excitations of dipolar gases based on local tunneling in superlatticesCao, Lushuai / Mistakidis, Simeon I. / Deng, Xing / Schmelcher, Peter et al. | 2016
- 311
-
Vibrational properties of fractionally charged molecules and their relevance for molecular electronics and electrochemistryBâldea, Ioan et al. | 2016
- 319
-
Benchmarking singlet and triplet excitation energies of molecular semiconductors for singlet fission: Tuning the amount of HF exchange and adjusting local correlation to obtain accurate functionals for singlet–triplet gapsBrückner, Charlotte / Engels, Bernd et al. | 2016
- 339
-
A four-component Fock-space coupled cluster investigation of the XMn(CO)5, (X=Cl, Br and I) photoelectron spectraNikoobakht, Behnam / Siebert, Max / Pernpointner, Markus et al. | 2016
- 346
-
Single and double carbon vacancies in pyrene as first models for graphene defects: A survey of the chemical reactivity toward hydrogenNieman, Reed / Das, Anita / Aquino, Adélia J.A. / Amorim, Rodrigo G. / Machado, Francisco B.C. / Lischka, Hans et al. | 2016
- 355
-
Finite-temperature second-order many-body perturbation theory revisitedSantra, Robin / Schirmer, Jochen et al. | 2016
- 362
-
Solvable model of a trapped mixture of Bose–Einstein condensatesKlaiman, Shachar / Streltsov, Alexej I. / Alon, Ofir E. et al. | 2016
- 374
-
Resonant photoelectron imaging of deprotonated uracil anion via vibrational levels of a dipole-bound excited stateHuang, Dao-Ling / Liu, Hong-Tao / Ning, Chuan-Gang / Dau, Phuong Diem / Wang, Lai-Sheng et al. | 2016
- 384
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Derivation of the one electron orbital which is associated with the best separable function of a given many electron reference stateŠindelka, Milan / Moiseyev, Nimrod et al. | 2016
- 387
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Selected boron, aluminum, and gallium trihalide and trihydride anionsBrzeski, Jakub / Czapla, Marcin / Skurski, Piotr / Simons, Jack et al. | 2016
- IFC
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IFC (Editorial Board)| 2017
- v
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Contents| 2017