Improving the efficiency of hierarchical equations of motion approach and application to coherent dynamics in Aharonov–Bohm interferometers (English)
- New search for: Hou, Dong
- New search for: Wang, Shikuan
- New search for: Wang, Rulin
- New search for: Ye, LvZhou
- New search for: Xu, RuiXue
- New search for: Zheng, Xiao
- New search for: Yan, YiJing
- New search for: Hou, Dong
- New search for: Wang, Shikuan
- New search for: Wang, Rulin
- New search for: Ye, LvZhou
- New search for: Xu, RuiXue
- New search for: Zheng, Xiao
- New search for: Yan, YiJing
In:
The Journal of Chemical Physics
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142
, 10
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8
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2015
- Article (Journal) / Electronic Resource
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Title:Improving the efficiency of hierarchical equations of motion approach and application to coherent dynamics in Aharonov–Bohm interferometers
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Contributors:Hou, Dong ( author ) / Wang, Shikuan ( author ) / Wang, Rulin ( author ) / Ye, LvZhou ( author ) / Xu, RuiXue ( author ) / Zheng, Xiao ( author ) / Yan, YiJing ( author )
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Published in:The Journal of Chemical Physics ; 142, 10 ; 8
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Publisher:
- New search for: AIP Publishing LLC
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Publication date:2015-03-14
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Size:8 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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Keywords:
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Source:
Table of contents – Volume 142, Issue 10
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.
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Living on the edge: Tuning supramolecular interactions to design two-dimensional organic crystals near the boundary of two stable structural phasesHirsch, Brandon E. / McDonald, Kevin P. / Flood, Amar H. / Tait, Steven L. et al. | 2015
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Electronic structure at transition metal phthalocyanine-transition metal oxide interfaces: Cobalt phthalocyanine on epitaxial MnO filmsGlaser, Mathias / Peisert, Heiko / Adler, Hilmar / Aygül, Umut / Ivanovic, Milutin / Nagel, Peter / Merz, Michael / Schuppler, Stefan / Chassé, Thomas et al. | 2015
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Temperature-dependent self-assembly of NC–Ph5–CN molecules on Cu(111)Pivetta, Marina / Pacchioni, Giulia E. / Fernandes, Edgar / Brune, Harald et al. | 2015
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Coarse-grained picture of Brownian motion in water: Role of size and interaction distance range on the nature of randomnessHanasaki, Itsuo / Nagura, Ryo / Kawano, Satoyuki et al. | 2015
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Shape-independent model (SHIM) approach for studying aggregation by NMR diffusometryHernandez Santiago, Adrian A. / Buchelnikov, Anatoly S. / Rubinson, Maria A. / Yesylevskyy, Semen O. / Parkinson, John A. / Evstigneev, Maxim P. et al. | 2015
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Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methodsGiacomello, Alberto / Meloni, Simone / Müller, Marcus / Casciola, Carlo Massimo et al. | 2015
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N2 dissociation on W(110): An ab initio molecular dynamics study on the effect of phononsNattino, Francesco / Costanzo, Francesca / Kroes, Geert-Jan et al. | 2015
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Erratum: “Phase diagram of ammonium nitrate” [J. Chem. Phys. 139, 214503 (2013)]Dunuwille, Mihindra / Yoo, Choong-Shik et al. | 2015
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Preparation of state purified beams of He, Ne, C, N, and O atomsJankunas, Justin / Reisyan, Kevin S. / Osterwalder, Andreas et al. | 2015
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Redox-active on-surface polymerization of single-site divalent cations from pure metals by a ketone-functionalized phenanthrolineSkomski, Daniel / Tempas, Christopher D. / Bukowski, Gregory S. / Smith, Kevin A. / Tait, Steven L. et al. | 2015
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Response to “Comment on ‘The gas-liquid surface tension of argon: A reconciliation between experiment and simulation”’ [J. Chem. Phys. 142, 107101 (2015)]Goujon, Florent / Malfreyt, Patrice / Tildesley, Dominic J. et al. | 2015
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Electron collisions with phenol: Total, integral, differential, and momentum transfer cross sections and the role of multichannel coupling effects on the elastic channelda Costa, Romarly F. / de Oliveira, Eliane M. / Bettega, Márcio H. F. / Varella, Márcio T. do N. / Jones, Darryl B. / Brunger, Michael J. / Blanco, Francisco / Colmenares, Rafael / Limão-Vieira, Paulo / García, Gustavo et al. | 2015
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Response to “Comment on ‘A model for phosphate glass topology considering the modifying ion sub-network”’ [J. Chem. Phys. 142, 107103 (2015)]Hermansen, Christian / Mauro, John C. / Yue, Yuanzheng et al. | 2015
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Anomalous law of coolingLapas, Luciano C. / Ferreira, Rogelma M. S. / Rubí, J. Miguel / Oliveira, Fernando A. et al. | 2015
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On the theoretical description of weakly charged surfacesWang, Rui / Wang, Zhen-Gang et al. | 2015
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Improving the efficiency of hierarchical equations of motion approach and application to coherent dynamics in Aharonov–Bohm interferometersHou, Dong / Wang, Shikuan / Wang, Rulin / Ye, LvZhou / Xu, RuiXue / Zheng, Xiao / Yan, YiJing et al. | 2015
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Inclusion of line tension effect in classical nucleation theory for heterogeneous nucleation: A rigorous thermodynamic formulation and some unique conclusionsSingha, Sanat K. / Das, Prasanta K. / Maiti, Biswajit et al. | 2015
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Fluctuation-dissipation theorem and the dielectric response in supercooled liquidsKondrin, M. V. / Brazhkin, V. V. / Lebed, Y. B. et al. | 2015
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Selection of conformational states in self-assembled surface structures formed from an oligo(naphthylene–ethynylene) 3-bit binary switchNing, Y. / Cramer, J. R. / Nuermaimaiti, A. / Svane, K. / Yu, M. / Lægsgaard, E. / Besenbacher, F. / Xue, Q.-K. / Ma, X. / Hammer, B. et al. | 2015
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Robustness of a new molecular dynamics–finite element coupling approach for soft matter systems analyzed by uncertainty quantificationLiu, Shengyuan / Gerisch, Alf / Rahimi, Mohammad / Lang, Jens / Böhm, Michael C. / Müller-Plathe, Florian et al. | 2015
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Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculationsBelyaev, Andrey K. / Domcke, Wolfgang / Lasser, Caroline / Trigila, Giulio et al. | 2015
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Structure and stability of solid Xe(H2)nSomayazulu, Maddury / Dera, Przemyslaw / Smith, Jesse / Hemley, Russell J. et al. | 2015
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Minimising biases in full configuration interaction quantum Monte CarloVigor, W. A. / Spencer, J. S. / Bearpark, M. J. / Thom, A. J. W. et al. | 2015
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Solutes at the liquid:liquid phase boundary—Solubility and solvent conformational response alter interfacial microsolvationGhadar, Yasaman / Parmar, Payal / Samuels, Alex C. / Clark, Aurora E. et al. | 2015
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Partial secular Bloch-Redfield master equation for incoherent excitation of multilevel quantum systemsTscherbul, Timur V. / Brumer, Paul et al. | 2015
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Self-assembly of indole-2-carboxylic acid at graphite and gold surfacesDe Marchi, Fabrizio / Cui, Daling / Lipton-Duffin, Josh / Santato, Clara / MacLeod, Jennifer M. / Rosei, Federico et al. | 2015
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True perylene epitaxy on Ag(110) driven by site recognition effectBobrov, K. / Kalashnyk, N. / Guillemot, L. et al. | 2015
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From hydrogen bonding to metal coordination and back: Porphyrin-based networks on Ag(111)Studener, F. / Müller, K. / Marets, N. / Bulach, V. / Hosseini, M. W. / Stöhr, M. et al. | 2015
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Compressed exponential decays in correlation experiments: The influence of temperature gradients and convectionGabriel, Jan / Blochowicz, Thomas / Stühn, Bernd et al. | 2015
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C60 chain phases on ZnPc/Ag(111) surfaces: Supramolecular organization driven by competing interactionsJin, W. / Liu, Q. / Dougherty, D. B. / Cullen, W. G. / Reutt-Robey, J. E. / Weeks, J. / Robey, S. W. et al. | 2015
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Origin of the 900 cm−1 broad double-hump OH vibrational feature of strongly hydrogen-bonded carboxylic acidsVan Hoozen, Brian L. / Petersen, Poul B. et al. | 2015
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Diffusivity and short-time dynamics in two models of silicaLascaris, Erik / Hemmati, Mahin / Buldyrev, Sergey V. / Stanley, H. Eugene / Angell, C. Austen et al. | 2015
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Theory and simulations of toroidal and rod-like structures in single-molecule DNA condensationCortini, Ruggero / Caré, Bertrand R. / Victor, Jean-Marc / Barbi, Maria et al. | 2015
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Comment on “The gas-liquid surface tension of argon: A reconciliation between experiment and simulation” [J. Chem. Phys. 140, 244710 (2014)]Werth, Stephan / Horsch, Martin / Vrabec, Jadran / Hasse, Hans et al. | 2015
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Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamicsMansbach, Rachael A. / Ferguson, Andrew L. et al. | 2015
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Characterization of one-dimensional molecular chains of 4,4′-biphenyl diisocyanide on Au(111) by scanning tunneling microscopyZhou, Jing / Li, Yan / Zahl, Percy / Sutter, Peter / Stacchiola, Dario J. / White, Michael G. et al. | 2015
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The interaction of He− with fullerenesMauracher, Andreas / Daxner, Matthias / Huber, Stefan E. / Postler, Johannes / Renzler, Michael / Denifl, Stephan / Scheier, Paul / Ellis, Andrew M. et al. | 2015
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Thermodynamic versus kinetic control in self-assembly of zero-, one-, quasi-two-, and two-dimensional metal-organic coordination structuresLin, Tao / Wu, Qi / Liu, Jun / Shi, Ziliang / Liu, Pei Nian / Lin, Nian et al. | 2015
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Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case speciesPirali, O. / Kisiel, Z. / Goubet, M. / Gruet, S. / Martin-Drumel, M. A. / Cuisset, A. / Hindle, F. / Mouret, G. et al. | 2015
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Tribromobenzene on Cu(111): Temperature-dependent formation of halogen-bonded, organometallic, and covalent nanostructuresFan, Qitang / Wang, Tao / Liu, Liming / Zhao, Jin / Zhu, Junfa / Gottfried, J. Michael et al. | 2015
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Hydrogen-bonded clusters of 1, 1′-ferrocenedicarboxylic acid on Au(111) are initially formed in solutionQuardokus, Rebecca C. / Wasio, Natalie A. / Brown, Ryan D. / Christie, John A. / Henderson, Kenneth W. / Forrest, Ryan P. / Lent, Craig S. / Corcelli, Steven A. / Alex Kandel, S. et al. | 2015
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Description of spin–orbit coupling in excited states with two-component methods based on approximate coupled-cluster theoryKrause, Katharina / Klopper, Wim et al. | 2015
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Theory vs. experiment for molecular clusters: Spectra of OCS trimers and tetramersEvangelisti, Luca / Perez, Cristobal / Seifert, Nathan A. / Pate, Brooks H. / Dehghany, M. / Moazzen-Ahmadi, N. / McKellar, A. R. W. et al. | 2015
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Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulationsSchwörer, Magnus / Lorenzen, Konstantin / Mathias, Gerald / Tavan, Paul et al. | 2015
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Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structureMiller, Daniel P. / Simpson, Scott / Tymińska, Nina / Zurek, Eva et al. | 2015
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Self-assembly of diblock copolymer confined in an array-structure spaceHe, Xuehao / Zou, Zhixiang / Kan, Di / Liang, Haojun et al. | 2015
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Influence of water on supra-molecular assembly of 4, 4′-dihydroxy azobenzene on Ag(111)Henzl, Jörg / Boom, Konrad / Morgenstern, Karina et al. | 2015
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Quantum confinement in self-assembled two-dimensional nanoporous honeycomb networks at close-packed metal surfacesKepčija, N. / Huang, T.-J. / Klappenberger, F. / Barth, J. V. et al. | 2015
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Temperature-controlled metal/ligand stoichiometric ratio in Ag-TCNE coordination networksRodríguez-Fernández, Jonathan / Lauwaet, Koen / Herranz, Maria Ángeles / Martín, Nazario / Gallego, José María / Miranda, Rodolfo / Otero, Roberto et al. | 2015
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Cross-circularly polarized two-exciton states in one to three dimensionsAjiki, Hiroshi et al. | 2015
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Ab initio O(N) elongation-counterpoise method for BSSE-corrected interaction energy analyses in biosystemsOrimoto, Yuuichi / Yamamoto, Ryohei / Xie, Peng / Liu, Kai / Imamura, Akira / Aoki, Yuriko et al. | 2015
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Potential energy surfaces for the HBr+ + CO2 → Br + HOCO+ reaction in the HBr+ 2Π3/2 and 2Π1/2 spin-orbit statesSun, Rui / Granucci, Giovanni / Paul, Amit K. / Siebert, Matthew / Liang, Hongliang J. / Cheong, Grace / Hase, William L. / Persico, Maurizio et al. | 2015
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A configurational study of helium clusters doped with He∗− and He2∗−Rodríguez-Cantano, Rocío / González-Lezana, Tomás / Villarreal, Pablo / Gianturco, Franco A. et al. | 2015
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Relationships between the surface electronic and chemical properties of doped 4d and 5d late transition metal dioxidesXu, Zhongnan / Kitchin, John R. et al. | 2015
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Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical)Landry, Brian R. / Subotnik, Joseph E. et al. | 2015
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Self-assembly of strongly dipolar molecules on metal surfacesKunkel, Donna A. / Hooper, James / Simpson, Scott / Miller, Daniel P. / Routaboul, Lucie / Braunstein, Pierre / Doudin, Bernard / Beniwal, Sumit / Dowben, Peter / Skomski, Ralph et al. | 2015
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Simulated evolution of fluorophores for light emitting diodesShu, Yinan / Levine, Benjamin G. et al. | 2015
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Comment on “An investigation of the liquid to glass transition using integral equations for the pair structure of coupled replicae” [J. Chem. Phys. 141, 174505 (2014)]Bomont, Jean-Marc / Hansen, Jean-Pierre / Pastore, Giorgio et al. | 2015
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Erratum: “Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation” [J. Chem. Phys. 140, 174106 (2014)]Kekenes-Huskey, P. M. / Gillette, A. K. / McCammon, J. A. et al. | 2015
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Chemical insight from density functional modeling of molecular adsorption: Tracking the bonding and diffusion of anthracene derivatives on Cu(111) with molecular orbitalsWyrick, Jonathan / Einstein, T. L. / Bartels, Ludwig et al. | 2015
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Parallel scalability of Hartree–Fock calculationsChow, Edmond / Liu, Xing / Smelyanskiy, Mikhail / Hammond, Jeff R. et al. | 2015
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The glass-forming ability of model metal-metalloid alloysZhang, Kai / Liu, Yanhui / Schroers, Jan / Shattuck, Mark D. / O’Hern, Corey S. et al. | 2015
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Thermodynamics of the adsorption of flexible polymers on nanowiresVogel, Thomas / Gross, Jonathan / Bachmann, Michael et al. | 2015
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Preface: Special Topic on Supramolecular Self-Assembly at SurfacesBartels, Ludwig / Ernst, Karl-Heinz / Gao, Hong-Jun / Thiel, Patricia A. et al. | 2015
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Redox-activity and self-organization of iron-porphyrin monolayers at a copper/electrolyte interfacePhan, Thanh Hai / Wandelt, Klaus et al. | 2015
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Heterogeneous patterns on block copolymer thin film via solvent annealing: Effect on protein adsorptionShen, Lei / Zhu, Jintao / Liang, Haojun et al. | 2015
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NMR diffusion-encoding with axial symmetry and variable anisotropy: Distinguishing between prolate and oblate microscopic diffusion tensors with unknown orientation distributionEriksson, Stefanie / Lasič, Samo / Nilsson, Markus / Westin, Carl-Fredrik / Topgaard, Daniel et al. | 2015
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Self-assembled two-dimensional nanoporous molecular arrays and photoinduced polymerization of 4-bromo-4′-hydroxybiphenyl on Ag(111)Shen, Qian / He, Jing Hui / Zhang, Jia Lin / Wu, Kai / Xu, Guo Qin / Wee, Andrew Thye Shen / Chen, Wei et al. | 2015
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On the stability of surface-confined nanoporous molecular networksGhijsens, Elke / Adisoejoso, Jinne / Van Gorp, Hans / Destoop, Iris / Noguchi, Aya / Ivasenko, Oleksandr / Tahara, Kazukuni / Van der Auweraer, Mark / Tobe, Yoshito / De Feyter, Steven et al. | 2015
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Amino-terminated biphenylthiol self-assembled monolayers as highly reactive molecular templatesMeyerbroeker, N. / Waske, P. / Zharnikov, M. et al. | 2015
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Molecular engineering of Schiff-base linked covalent polymers with diverse topologies by gas-solid interface reactionLiu, Xuan-He / Guan, Cui-Zhong / Zheng, Qing-Na / Wang, Dong / Wan, Li-Jun et al. | 2015
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Structural fluctuations and orientational glass of levoglucosan—High stability against ordering and absence of structural glassTombari, Elpidio / Johari, G. P. et al. | 2015
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Construction of single-crystalline supramolecular networks of perchlorinated hexa-peri-hexabenzocoronene on Au(111)Zhang, Yi / Zhang, Yanfang / Li, Geng / Lu, Jianchen / Lin, Xiao / Tan, Yuanzhi / Feng, Xinliang / Du, Shixuan / Müllen, Klaus / Gao, Hong-Jun et al. | 2015
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Electrophilic surface sites as precondition for the chemisorption of pyrrole on GaAs(001) surfacesBruhn, Thomas / Fimland, Bjørn-Ove / Vogt, Patrick et al. | 2015
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Impact of branching on the supramolecular assembly of thioethers on Au(111)Murphy, Colin J. / Shi, Xuerong / Jewell, April D. / McGuire, Allister F. / Bellisario, Darin O. / Baber, Ashleigh E. / Tierney, Heather L. / Lewis, Emily A. / Sholl, David S. / Sykes, E. Charles. H. et al. | 2015
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Scaling law for crystal nucleation time in glassesMokshin, Anatolii V. / Galimzyanov, Bulat N. et al. | 2015
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Single atom catalysts on amorphous supports: A quenched disorder perspectivePeters, Baron / Scott, Susannah L. et al. | 2015
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1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forcesTemprano, I. / Thomas, G. / Haq, S. / Dyer, M. S. / Latter, E. G. / Darling, G. R. / Uvdal, P. / Raval, R. et al. | 2015
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Comment on “A model for phosphate glass topology considering the modifying ion sub-network” [J. Chem. Phys. 140, 154501 (2014)]Sidebottom, David L. et al. | 2015
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Systematic comparison of crystalline and amorphous phases: Charting the landscape of water structures and transformationsPietrucci, Fabio / Martoňák, Roman et al. | 2015
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Supramolecular order and structural dynamics: A STM study of 2H-tetraphenylporphycene on Cu(111)Stark, Michael / Träg, Johannes / Ditze, Stefanie / Brenner, Wolfgang / Jux, Norbert / Steinrück, Hans-Peter / Marbach, Hubertus et al. | 2015
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Adsorption of PTCDA on Si(001) − 2 × 1 surfaceSuzuki, Takayuki / Yoshimoto, Yoshihide / Yagyu, Kazuma / Tochihara, Hiroshi et al. | 2015
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Differential cross sections for electron impact excitation of the electronic bands of phenolNeves, R. F. C. / Jones, D. B. / Lopes, M. C. A. / Nixon, K. L. / da Silva, G. B. / Duque, H. V. / de Oliveira, E. M. / da Costa, R. F. / Varella, M. T. do N. / Bettega, M. H. F. et al. | 2015