Assessment and formal properties of exchange-correlation functionals constructed from the adiabatic connection (English)
National licence
- New search for: Cohen, Aron J.
- New search for: Mori-Sa´nchez, Paula
- New search for: Yang, Weitao
- New search for: Cohen, Aron J.
- New search for: Mori-Sa´nchez, Paula
- New search for: Yang, Weitao
In:
The Journal of Chemical Physics
;
127
, 3
;
034101-
;
2007
- Article (Journal) / Electronic Resource
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Title:Assessment and formal properties of exchange-correlation functionals constructed from the adiabatic connection
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Contributors:
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Published in:The Journal of Chemical Physics ; 127, 3 ; 034101-
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Publisher:
- New search for: American Institute of Physics
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Publication date:2007-07-21
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Size:14 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 127, Issue 3
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.
- 031101
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Small-angle x-ray scattering measurement of a mist of ethanol nanodroplets: An approach to understanding ultrasonic separation of ethanol-water mixturesYano, Yohko F. / Matsuura, Kazuo / Fukazu, Tetsuo / Abe, Fusatsugu / Wakisaka, Akihiro / Kobara, Hitomi / Kaneko, Kazuyuki / Kumagai, Atsushi / Katsuya, Yoshio / Tanaka, Masahiko et al. | 2007
- 031102
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Fully quantum state-resolved inelastic scattering between He and NO(X 2Π)Kłos, J. / Aoiz, F. J. / Verdasco, J. E. / Brouard, M. / Marinakis, S. / Stolte, S. et al. | 2007
- 034101
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Assessment and formal properties of exchange-correlation functionals constructed from the adiabatic connectionCohen, Aron J. / Mori-Sa´nchez, Paula / Yang, Weitao et al. | 2007
- 034102
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Critical thoughts on computing atom condensed Fukui functionsBultinck, Patrick / Fias, Stijn / Van Alsenoy, Christian / Ayers, Paul W. / Carbo´-Dorca, Ramon et al. | 2007
- 034103
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Properties of the generalized master equation: Green’s functions and probability density functions in the path representationFlomenbom, Ophir / Silbey, Robert J. et al. | 2007
- 034104
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Enhanced sampling via strong coupling to a heat bath: Relationship between Tsallis and multicanonical algorithmsMorishita, Tetsuya / Mikami, Masuhiro et al. | 2007
- 034105
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Reflection-free complex absorbing potential for electronic structure calculations: Feshbach-type autoionization resonances of moleculesSajeev, Y. / Moiseyev, Nimrod et al. | 2007
- 034106
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Second order explicitly correlated R12 theory revisited: A second quantization framework for treatment of the operators’ partitioningsNoga, Jozef / Kedzˇuch, Stanislav / Sˇimunek, Ja´n et al. | 2007
- 034107
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Molecular response properties from explicitly time-dependent configuration interaction methodsKrause, Pascal / Klamroth, Tillmann / Saalfrank, Peter et al. | 2007
- 034108
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Modeling temporary anions in density functional theory: Calculation of the Fukui functionTozer, David J. / De Proft, Frank et al. | 2007
- 034109
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Extensions to the likelihood maximization approach for finding reaction coordinatesPeters, Baron / Beckham, Gregg T. / Trout, Bernhardt L. et al. | 2007
- 034110
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Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulationsChelli, Riccardo / Marsili, Simone / Barducci, Alessandro / Procacci, Piero et al. | 2007
- 034111
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Efficient configuration selection scheme for vibrational second-order perturbation theoryYagi, Kiyoshi / Hirata, So / Hirao, Kimihiko et al. | 2007
- 034112
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Exchange parameters from approximate self-interaction correction schemeAkande, A. / Sanvito, S. et al. | 2007
- 034301
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Interactions of neutral and singly charged keV atomic particles with gas-phase adenine moleculesAlvarado, Fresia / Bari, Sadia / Hoekstra, Ronnie / Schlatho¨lter, Thomas et al. | 2007
- 034302
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High-resolution microwave spectrum of the weakly bound helium-pyridine complexTanjaroon, Chakree / Ja¨ger, Wolfgang et al. | 2007
- 034303
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Diradicals, antiaromaticity, and the pseudo-Jahn-Teller effect: Electronic and rovibronic structures of the cyclopentadienyl cationWo¨rner, H. J. / Merkt, F. et al. | 2007
- 034304
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Slow electron velocity-map imaging spectroscopy of the 1-propynyl radicalZhou, Jia / Garand, Etienne / Eisfeld, Wolfgang / Neumark, Daniel M. et al. | 2007
- 034305
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Tunable diode laser absorption spectroscopy study of CH3CH2OD/D2O binary condensation in a supersonic Laval nozzleTanimura, Shinobu / Wyslouzil, Barbara E. / Zahniser, Mark S. / Shorter, Joanne H. / Nelson, David D. / McManus, J. Barry et al. | 2007
- 034501
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Concentration fluctuations in nonisothermal reaction-diffusion systemsOrtiz de Za´rate, Jose´ M. / Sengers, Jan V. / Bedeaux, Dick / Kjelstrup, Signe et al. | 2007
- 034502
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Structure of spherical electric double layers: A density functional approachGoel, Teena / Patra, Chandra N. et al. | 2007
- 034503
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Pair interaction potentials with explicit polarization for molecular dynamics simulations of La3+ in bulk waterDuvail, Magali / Souaille, Marc / Spezia, Riccardo / Cartailler, Thierry / Vitorge, Pierre et al. | 2007
- 034504
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Influence of high pressure on optical impurity spectraRenge, Indrek et al. | 2007
- 034505
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The influence of interactions between reagents on the excess in the rate of quenching reaction: Molecular dynamics studyLitniewski, Marek et al. | 2007
- 034506
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Confinement induced critical micelle concentration shiftZhang, Xianren / Chen, Guangjin / Wang, Wenchuan et al. | 2007
- 034507
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Ultrafast-based projection-reconstruction three-dimensional nuclear magnetic resonance spectroscopyMishkovsky, Mor / Kupcˇe, Eriks / Frydman, Lucio et al. | 2007
- 034701
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Theory of molecular excitation and relaxation near a plasmonic deviceColas des Francs, Ge´rard / Girard, Christian / Laroche, Thierry / Le´ve`que, Gae¨tan / Martin, Olivier J. F. et al. | 2007
- 034702
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Thermal stability of surface freezing films in Ga-based alloys: An x-ray photoelectron spectroscopy and scanning tunneling microscopy studyHalka, V. / Freyland, W. et al. | 2007
- 034703
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Modeling the interactions between compliant microcapsules and pillars in microchannelsZhu, Guangdong / Alexeev, Alexander / Kumacheva, Eugenia / Balazs, Anna C. et al. | 2007
- 034704
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Structure and optical properties of amorphous lead-germanate films developed by pulsed-laser depositionDussauze, M. / Giannoudakos, A. / Velli, L. / Varsamis, C. P. E. / Kompitsas, M. / Kamitsos, E. I. et al. | 2007
- 034705
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Continuum mesoscopic framework for multiple interacting species and processes on multiple site types and/or crystallographic planesChatterjee, Abhijit / Vlachos, Dionisios G. et al. | 2007
- 034706
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Nonadiabatic quantum dynamics based on a hierarchical electron-phonon model: Exciton dissociation in semiconducting polymersTamura, Hiroyuki / Bittner, Eric R. / Burghardt, Irene et al. | 2007
- 034707
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Surface tension of the Widom-Rowlinson modelde Miguel, E. / Almarza, N. G. / Jackson, G. et al. | 2007
- 034708
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Correlation of reaction sites during the chlorine extraction by hydrogen atom from Cl/Si(100)‐2×1Hsieh, Ming-Feng / Chung, Jen-Yang / Lin, Deng-Sung / Tsay, Shiow-Fon et al. | 2007
- 034901
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Marked differences in volume phase transitions between gel and single molecule in DNAMayama, H. / Nakai, T. / Takushi, E. / Tsujii, K. / Yoshikawa, K. et al. | 2007
- 034902
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Isotropic-nematic phase transition in athermal solutions of rod-coil diblock copolymersJiang, Tao / Wu, Jianzhong et al. | 2007
- 034903
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Derivation of Frank-Ericksen elastic coefficients for polydomain nematics from mean-field molecular theory for anisotropic particlesKro¨ger, Martin / Ilg, Patrick et al. | 2007
- 034904
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Polymer depletion profiles around nonspherical colloidal particlesEisenriegler, E. / Bringer, A. et al. | 2007
- 034905
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Colloid-colloid and colloid-wall interactions in driven suspensionsKru¨ger, Matthias / Rauscher, Markus et al. | 2007
- 034906
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Long-time self-diffusion of charged colloidal particles: Electrokinetic and hydrodynamic interaction effectsMcPhie, Mathieu G. / Na¨gele, Gerhard et al. | 2007
- 035101
-
Three-dimensional Monte Carlo simulations of intracellular diffusion and reaction of signaling proteinsZhdanov, Vladimir P. et al. | 2007
- 035102
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Folding of a miniprotein with mixed foldMohanty, Sandipan / Hansmann, U. H. E. et al. | 2007
- 035103
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Computer simulations and theoretical aspects of the depletion interaction in protein-oligomer mixturesBoncˇina, M. / Resˇcˇicˇ, J. / Kalyuzhnyi, Yu. V. / Vlachy, V. et al. | 2007
- 036101
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Resolved: Electronic states underneath broad absorptionsCardoza, Job D. / Weber, Peter M. et al. | 2007