Computation of high-harmonic generation spectra of H2 and N2 in intense laser pulses using quantum chemistry methods and time-dependent density functional theory (Unknown)
- New search for: Luppi, Eleonora
- New search for: Luppi, Eleonora
- New search for: Head-Gordon, Martin
In:
Molecular physics
;
110
, 9
; 909-924
;
2012
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ISSN:
- Article (Journal) / Print
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Title:Computation of high-harmonic generation spectra of H2 and N2 in intense laser pulses using quantum chemistry methods and time-dependent density functional theory
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Contributors:Luppi, Eleonora ( author ) / Head-Gordon, Martin
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Published in:Molecular physics ; 110, 9 ; 909-924
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Publisher:
- New search for: Taylor & Francis
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Place of publication:London
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Publication date:2012
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:Unknown
- New search for: 35.10 / 33.30 / 42.12
- Further information on Basic classification
- New search for: 275/3465
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Keywords:
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Source:
Table of contents – Volume 110, Issue 9
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.
- 491
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William H. Miller| 2012
- 493
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IntroductionMakri, Nancy / Head-Gordon, Martin / Chandler, David / Yang, Weitao et al. | 2012
- 495
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Quantum Molecular Dynamics: A Conference in Honor of William H. Miller University of California at Berkeley January 9–12, 2012| 2012
- 497
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PublicationsHead-Gordon, Martin et al. | 2012
- 511
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Miller Group AlumniHead-Gordon, Martin et al. | 2012
- 513
-
At the birth of modern semiclassical theoryMarcus, Rudolph A. et al. | 2012
- 517
-
A selection rule for the directions of electronic fluxes during unimolecular pericyclic reactions in the electronic ground stateManz, Jörn / Yamamoto, Kentaro et al. | 2012
- 531
-
Barrier crossing in dihydrofolate reductase does not involve a rate-promoting vibrationDametto, Mariangela / Antoniou, Dimitri / Schwartz, Steven D. et al. | 2012
- 537
-
Resonance energies, lifetimes and complex energy potential curves from standard wave-packet calculationsGoldzak, Tamar / Gilary, Ido / Moiseyev, Nimrod et al. | 2012
- 547
-
Vibration-assisted tunneling: a semiclassical instanton approachCeotto, Michele et al. | 2012
- 561
-
Oscillatory behaviour of charge transfer probabilities in ion-atom collisionsÖhrn, Yngve / Sabin, John R. et al. | 2012
- 565
-
What is a hydrogen bond? Mutually consistent theoretical and experimental criteria for characterizing H-bonding interactionsWeinhold, Frank / Klein, Roger A. et al. | 2012
- 581
-
Dynamics of electron transfer in complex glassy environment modeled by the Cole–Davidson spectral densityZhou, Yun / Shao, Jiushu / Wang, Haobin et al. | 2012
- 595
-
Protein–water hydrogen bonds are stabilized by electrostatic polarizationGao, Ya / Guo, Man / Mei, Ye / Zhang, John Z.H. et al. | 2012
- 605
-
Femtosecond timescale deactivation of electronically excited peroxides at ice surfacesShemesh, Dorit / Gerber, R. Benny et al. | 2012
- 619
-
Rovibrational energy transfer in collisions of H2 with D2: a full-dimensional wave packet propagation studyOtto, Frank / Gatti, Fabien / Meyer, Hans-Dieter et al. | 2012
- 633
-
Recurrence relations for one-dimensional harmonic oscillator matrix elements of Gaussian and exponential operatorsSchmidt, P.P. et al. | 2012
- 663
-
A complex scaled multiconfigurational time-dependent Hartree–Fock method for studying resonant statesZhang, Song Bin / Yeager, Danny L. et al. | 2012
- 669
-
Nonadiabatic investigations of ro-vibrational frequencies within the systems , H2, and prospects for : use of distance-dependent effective massesJaquet, Ralph / Khoma, Mykhaylo V. et al. | 2012
- 685
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A comparative first-principles study of structural and electronic properties among memantine, amantadine and rimantadineMiddleton, Kirsten / Zhang, G.P. / Nichols, Michael R. / George, Thomas F. et al. | 2012
- 691
-
Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradientsKuang, Shenyu / Gezelter, J. Daniel et al. | 2012
- 703
-
Thermal flux based analysis of state-to-state reaction probabilitiesWelsch, Ralph / Manthe, Uwe et al. | 2012
- 717
-
Driven coupled Morse oscillators: visualizing the phase space and characterizing the transportSethi, Astha / Keshavamurthy, Srihari et al. | 2012
- 729
-
Quantum mechanical averaging over fluctuating ratesPeskin, Uri et al. | 2012
- 735
-
Alternative approach of generating entanglement in quantum dots by spatial phaseMishima, K. / Yamashita, K. et al. | 2012
- 743
-
A semiclassical model for the non-equilibrium quantum transport of a many-electron Hamiltonian coupled to phononsSwenson, David W.H. / Cohen, Guy / Rabani, Eran et al. | 2012
- 751
-
Quantum dynamics of electron-transfer reactions: photoinduced intermolecular electron transfer in a porphyrin–quinone complexBorrelli, Raffaele / Thoss, Michael / Wang, Haobin / Domcke, Wolfgang et al. | 2012
- 765
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Isoelectronic analogue of oxywater: a parametric two-electron reduced-density-matrix study of ammonia oxideHoy, Erik P. / Schwerdtfeger, Christine A. / Mazziotti, David A. et al. | 2012
- 775
-
Multimode calculations of rovibrational energies of C2H4 and C2D4Carter, Stuart / Bowman, Joel M. / Handy, Nicholas C. et al. | 2012
- 783
-
Anharmonic vibrational analyses for the 1-silacyclopropenylidene molecule and its three isomersWu, Qunyan / Hao, Qiang / Wilke, Jeremiah J. / Simmonett, Andrew C. / Yamaguchi, Yukio / Li, Qianshu / Fang, De-Cai / Schaefer, Henry F.III et al. | 2012
- 801
-
Dynamical studies of macroscopic superposition states: phase engineering of controlled entangled number states of Bose–Einstein condensates in multiple wellsLeung, Mary Ann / Mahmud, Khan W. / Reinhardt, William P. et al. | 2012
- 817
-
The thermal flux–flux correlation function and classical-quantum correspondenceTromp, John W. / Dumont, Randall S. et al. | 2012
- 825
-
K-independent vibrational bases for systems with large amplitude motionWang, Xiao-Gang / Carrington Jr, Tucker et al. | 2012
- 837
-
Herman–Kluk allows analysis of quantum discrete breathers in higher dimensional systemsIgumenshchev, Kirill / Ovchinnikov, Misha / Prezhdo, Oleg V. et al. | 2012
- 845
-
A Lippmann–Schwinger approach for the determination of photoionization and photodetachment cross sections based on a partial wave Green's function expansion and configuration interaction wave functionsHan, Seungsuk / Yarkony, David R. et al. | 2012
- 861
-
Coherent control time-dependent methods for determining eigenvalues of Hermitian matrices with applications to electronic structure computationsRamakrishnan, Raghunathan / Nest, Mathias / Pollak, Eli et al. | 2012
- 875
-
Improved free-energy interpolation scheme for obtaining gas-phase reaction rates from ring-polymer molecular dynamicsStecher, Thomas / Althorpe, Stuart C. et al. | 2012
- 885
-
Three-dimensional laser alignment of polyatomic molecular ensemblesArtamonov, Maxim / Seideman, Tamar et al. | 2012
- 897
-
An action principle for complex quantum trajectoriesPoirier, Bill / Tannor, David et al. | 2012
- 909
-
Computation of high-harmonic generation spectra of H2 and N2 in intense laser pulses using quantum chemistry methods and time-dependent density functional theoryLuppi, Eleonora / Head-Gordon, Martin et al. | 2012
- 925
-
Optimized effective potential for calculations with orbital-free potential functionalsPeng, Degao / Zhao, Bo / Cohen, Aron J. / Hu, Xiangqian / Yang, Weitao et al. | 2012
- 935
-
Coarse-graining away electronic structure: a rigorous route to accurate condensed phase interaction potentialsKnight, Chris / Voth, Gregory A. et al. | 2012
- 945
-
Accelerating the calculation of time-resolved electronic spectra with the cellular dephasing representationŠulc, Miroslav / Vaníček, Jiří et al. | 2012
- 957
-
Simulating hydrogen-bond clustering and phase behaviour of imidazole oligomersHarvey, Jacob A. / Basak, Dipankar / Venkataraman, Dhandapani / Auerbach, Scott M. et al. | 2012
- 967
-
Computationally efficient molecular dynamics integrators with improved sampling accuracyPredescu, Cristian / Lippert, Ross A. / Eastwood, Michael P. / Ierardi, Douglas / Xu, Huafeng / Jensen, Morten Ø. / Bowers, Kevin J. / Gullingsrud, Justin / Rendleman, Charles A. / Dror, Ron O. et al. | 2012
- 985
-
The energy-conserving dynamics of quantum-classical systems based on quantum trajectoriesGarashchuk, Sophya / Volkov, Mikhail V. et al. | 2012
- 995
-
Tunneling through Coulombic barriers: quantum control of nuclear fusionSaha, Rajdeep / Markmann, Andreas / Batista, Victor S. et al. | 2012
- 1001
-
Path integral renormalization for quantum dissipative dynamics with multiple timescalesMakri, Nancy et al. | 2012
- 1009
-
Flux-correlation approach to characterizing reaction pathways in quantum systems: a study of condensed-phase proton-coupled electron transferAnanth, Nandini / Miller, Thomas F.III et al. | 2012
- 1017
-
Mechanochemical models of processive molecular motorsLan, Ganhui / Sun, Sean X. et al. | 2012
- 1035
-
Semi-classical path integral non-adiabatic dynamics: a partial linearized classical mapping Hamiltonian approachHuo, Pengfei / Coker, David F. et al. | 2012