The European Physical Journal B

Volume 91 / No 7 (July 2018)

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Topical issue: Special issue in honor of Hardy Gross

Regular Article

Time-dependent generalized Kohn–Sham theory 170

Roi Baer and Leeor Kronik

Published online: 23 July 2018

DOI: 10.1140/epjb/e2018-90103-0

Regular Article

An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables 169

Alessio Petrone, David B. Williams-Young, Shichao Sun, Torin F. Stetina and Xiaosong Li

Published online: 23 July 2018

DOI: 10.1140/epjb/e2018-90170-1

Regular Article

CT-MQC – a coupled-trajectory mixed quantum/classical method including nonadiabatic quantum coherence effects 168

Basile F.E. Curchod, Federica Agostini and Ivano Tavernelli

Published online: 23 July 2018

DOI: 10.1140/epjb/e2018-90149-x

Regular Article

Ab initio study of the (2 × 2) phase of barium on graphene 165

Cesare Tresca, Nikolay I. Verbitskiy, Alexander Grüneis and Gianni Profeta

Published online: 16 July 2018

DOI: 10.1140/epjb/e2018-90141-6

Regular Article

Exploring weight-dependent density-functional approximations for ensembles in the Hubbard dimer 162

Killian Deur, Laurent Mazouin, Bruno Senjean and Emmanuel Fromager

Published online: 16 July 2018

DOI: 10.1140/epjb/e2018-90124-7

Regular Article

Dissipative quantum dynamics and optimal control using iterative time ordering: an application to superconducting qubits 161

Daniel Basilewitsch, Lutz Marder and Christiane P. Koch

Published online: 11 July 2018

DOI: 10.1140/epjb/e2018-90224-4

Open Access

Regular Article

Asymptotic nodal planes in the electron density and the potential in the effective equation for the square root of the density 160

Paola Gori-Giorgi and Evert Jan Baerends

Published online: 11 July 2018

DOI: 10.1140/epjb/e2018-90225-3

Regular Article

On the challenge to improve the density response with unusual gradient approximations 159

Julian Garhammer, Fabian Hofmann, Rickard Armiento and Stephan Kümmel

Published online: 09 July 2018

DOI: 10.1140/epjb/e2018-90119-4

Regular Article

Local vertex corrections from exchange-correlation kernels with a discontinuity 155

Maria Hellgren

Published online: 09 July 2018

DOI: 10.1140/epjb/e2018-90110-1

Regular Article

Exchange and correlation in finite-temperature TDDFT 153

John J. Rehr and Joshua J. Kas

Published online: 04 July 2018

DOI: 10.1140/epjb/e2018-90063-3

Highlight

Regular Article

Pulse shape and molecular orientation determine the attosecond charge migration in Caffeine 152

Thomas A. Niehaus, Mehdi Meziane, Franck Lepine, Alexandre Marciniak, Kaoru Yamazaki and Hirohiko Kono

Published online: 04 July 2018

DOI: 10.1140/epjb/e2018-90223-5

Regular Article

Natural orbitals of helium in linearly polarized laser fields 151

Julius Rapp and Dieter Bauer

Published online: 04 July 2018

DOI: 10.1140/epjb/e2018-90178-5

Regular Article

Assessment of quality and reliability of band structures from exact-exchange-only Kohn–Sham, hybrid, and GW methods 149

Egor Trushin and Andreas Görling

Published online: 04 July 2018

DOI: 10.1140/epjb/e2018-90256-8

Regular Article

Second generation Car-Parrinello MD: application to the h-BN/Rh(111) nanomesh 148

Tiziana Musso, Sebastiano Caravati, Jürg Hutter and Marcella Iannuzzi

Published online: 04 July 2018

DOI: 10.1140/epjb/e2018-90104-y

Regular Article

Exact-exchange optimized effective potential and memory effect in time-dependent density functional theory 147

Sheng-Lun Liao, Tak-San Ho, Herschel Rabitz and Shih-I Chu

Published online: 04 July 2018

DOI: 10.1140/epjb/e2018-90084-x

Regular Article

An exact-factorization perspective on quantum-classical approaches to excited-state dynamics 143

Federica Agostini

Published online: 02 July 2018

DOI: 10.1140/epjb/e2018-90085-9

Regular Article

Linear response time-dependent density functional theory of the Hubbard dimer 142

Diego J. Carrascal, Jaime Ferrer, Neepa Maitra and Kieron Burke

Published online: 02 July 2018

DOI: 10.1140/epjb/e2018-90114-9

Open Access

Regular Article

When the exact factorization meets conical intersections... 141

Federica Agostini and Basile F.E. Curchod

Published online: 02 July 2018

DOI: 10.1140/epjb/e2018-90117-6

Highlight

Regular Article

Nuclear quantum effects in electronic (non)adiabatic dynamics 139

Federica Agostini, Ivano Tavernelli and Giovanni Ciccotti

Published online: 02 July 2018

DOI: 10.1140/epjb/e2018-90144-3

Regular Article

Visualizing electronic excitations with the particle-hole map: orbital localization and metric space analysis 137

Edward A. Pluhar III and Carsten A. Ullrich

Published online: 02 July 2018

DOI: 10.1140/epjb/e2018-90200-0

Regular Article

How sharply does the Anderson model depict a single-electron transistor? 136

Krissia Zawadzki and Luiz N. Oliveira

Published online: 02 July 2018

DOI: 10.1140/epjb/e2018-90164-y

Topical issue: The Physics of Micro-Energy Use and Transformation

Regular Article

Landauer’s limit and the physicality of information 156

Neal G. Anderson

Published online: 09 July 2018

DOI: 10.1140/epjb/e2018-80716-6

Regular Article

Micro electro-mechanical logic device at fundamental energy limit 135

Miquel López-Suárez and Igor Neri

Published online: 02 July 2018

DOI: 10.1140/epjb/e2018-80711-y

Topical issue: Shaping Nanocatalysts

Open Access

Regular Article

Pentameric PdAu and PdPt nanoparticles on the MgO(1 0 0) surface and their CO and O₂ adsorption properties 138

Mikail Aslan and Roy L. Johnston

Published online: 02 July 2018

DOI: 10.1140/epjb/e2018-90060-6

Regular Article

A train of bright and dark-rogue wave solitons in a polariton fluid with inhomogeneous strength interaction 167

Guy Richard Kol

Published online: 16 July 2018

DOI: 10.1140/epjb/e2018-90023-y

Regular Article

Heat-source transformation thermotics: from boundary-independent conduction to all-directional replication 166

Liujun Xu, Chaoran Jiang and Jiping Huang

Published online: 16 July 2018

DOI: 10.1140/epjb/e2018-90254-x

Regular Article

Effect of the hexagonal warping on the dynamical conductivity of surface states in a topological insulator 164

Qinjun Chen, Ye Yang and Chao Zhang

Published online: 16 July 2018

DOI: 10.1140/epjb/e2018-90300-9

Regular Article

Interaction of longitudinal phonons with discrete breather in strained graphene 163

Iman Evazzade, Mahmood Rezaee Roknabadi, Mohammad Behdani, Fatemeh Moosavi, Daxing Xiong, Kun Zhou and Sergey V. Dmitriev

Published online: 16 July 2018

DOI: 10.1140/epjb/e2018-90055-3

Regular Article

Density functional investigation of Kondo behavior, electronic structure and magnetic properties of CeRuPO-nano-layer 158

Maryam Noorafshan and Zahra Nourbakhsh

Published online: 09 July 2018

DOI: 10.1140/epjb/e2018-90132-7

Regular Article

Electronic transport in graphene nanoribbons with disorder look at the pseudo-spin polarization: Dirac versus tight-binding model 157

Luis I.A. López and Michel Mendoza

Published online: 09 July 2018

DOI: 10.1140/epjb/e2018-80594-x

Regular Article

Geometric symmetry modulated spin polarization of electron transport in graphene-like zigzag FeB₂ nanoribbons 154

Jian-Hua Li, Yan-Dong Guo, Xiao-Hong Yan, Hong-Li Zeng, Xiao-Chen Song and Xin-Yi Mou

Published online: 04 July 2018

DOI: 10.1140/epjb/e2018-90094-8

Regular Article

Fixed volume effect on polar properties and phase diagrams of ferroelectric semi-ellipsoidal nanoparticles 150

Eugene A. Eliseev, Victoria V. Khist, Yevhen M. Fomichov, Maxim V. Silibin, George S. Svechnikov, Andrei L. Kholkin, Dmitry V. Karpinsky, Vladimir V. Shvartsman and Anna N. Morozovska

Published online: 04 July 2018

DOI: 10.1140/epjb/e2018-90133-6

Regular Article

Microscopic theory of refractive index applied to metamaterials: effective current response tensor corresponding to standard relation n² = ε_effμ_eff 146

Giulio A. H. Schober and Ronald Starke

Published online: 04 July 2018

DOI: 10.1140/epjb/e2018-90207-5

Regular Article

Constructing null networks for community detection in complex networks 145

Wen-Kuo Cui, Ke-Ke Shang, Yong-Jian Zhang, Jing Xiao and Xiao-Ke Xu

Published online: 04 July 2018

DOI: 10.1140/epjb/e2018-90064-2

Regular Article

On symmetric and asymmetric Van der Pol-Duffing oscillators 144

Vinícius Wiggers and Paulo C. Rech

Published online: 02 July 2018

DOI: 10.1140/epjb/e2018-90295-1

Regular Article

Ab initio calculations of the mechanical and acoustic properties of Ti₂-based Heusler alloys under pressures 140

Yufeng Wen, Xiaoguang Yu, Xianshi Zeng, Yuanxiu Ye, Donglan Wu and Qingdong Gou

Published online: 02 July 2018

DOI: 10.1140/epjb/e2018-90261-y

EPJ

The European Physical Journal B

Volume 91 / No 7 (July 2018)

Topical issue: Special issue in honor of Hardy Gross

Time-dependent generalized Kohn–Sham theory 170

An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables 169

CT-MQC – a coupled-trajectory mixed quantum/classical method including nonadiabatic quantum coherence effects 168

Ab initio study of the (2 × 2) phase of barium on graphene 165

Exploring weight-dependent density-functional approximations for ensembles in the Hubbard dimer 162

Dissipative quantum dynamics and optimal control using iterative time ordering: an application to superconducting qubits 161

Asymptotic nodal planes in the electron density and the potential in the effective equation for the square root of the density 160

On the challenge to improve the density response with unusual gradient approximations 159

Local vertex corrections from exchange-correlation kernels with a discontinuity 155

Exchange and correlation in finite-temperature TDDFT 153

Pulse shape and molecular orientation determine the attosecond charge migration in Caffeine 152

Natural orbitals of helium in linearly polarized laser fields 151

Assessment of quality and reliability of band structures from exact-exchange-only Kohn–Sham, hybrid, and GW methods 149

Second generation Car-Parrinello MD: application to the h-BN/Rh(111) nanomesh 148

Exact-exchange optimized effective potential and memory effect in time-dependent density functional theory 147

An exact-factorization perspective on quantum-classical approaches to excited-state dynamics 143

Linear response time-dependent density functional theory of the Hubbard dimer 142

When the exact factorization meets conical intersections... 141

Nuclear quantum effects in electronic (non)adiabatic dynamics 139

Visualizing electronic excitations with the particle-hole map: orbital localization and metric space analysis 137

How sharply does the Anderson model depict a single-electron transistor? 136

Topical issue: The Physics of Micro-Energy Use and Transformation

Landauer’s limit and the physicality of information 156

Micro electro-mechanical logic device at fundamental energy limit 135

Topical issue: Shaping Nanocatalysts

Pentameric PdAu and PdPt nanoparticles on the MgO(1 0 0) surface and their CO and O2 adsorption properties 138

A train of bright and dark-rogue wave solitons in a polariton fluid with inhomogeneous strength interaction 167

Heat-source transformation thermotics: from boundary-independent conduction to all-directional replication 166

Effect of the hexagonal warping on the dynamical conductivity of surface states in a topological insulator 164

Interaction of longitudinal phonons with discrete breather in strained graphene 163

Density functional investigation of Kondo behavior, electronic structure and magnetic properties of CeRuPO-nano-layer 158

Electronic transport in graphene nanoribbons with disorder look at the pseudo-spin polarization: Dirac versus tight-binding model 157

Geometric symmetry modulated spin polarization of electron transport in graphene-like zigzag FeB2 nanoribbons 154

Fixed volume effect on polar properties and phase diagrams of ferroelectric semi-ellipsoidal nanoparticles 150

Microscopic theory of refractive index applied to metamaterials: effective current response tensor corresponding to standard relation n2 = εeffμeff 146

Constructing null networks for community detection in complex networks 145

On symmetric and asymmetric Van der Pol-Duffing oscillators 144

Ab initio calculations of the mechanical and acoustic properties of Ti2-based Heusler alloys under pressures 140

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Conference announcements

Pentameric PdAu and PdPt nanoparticles on the MgO(1 0 0) surface and their CO and O₂ adsorption properties 138

Geometric symmetry modulated spin polarization of electron transport in graphene-like zigzag FeB₂ nanoribbons 154

Microscopic theory of refractive index applied to metamaterials: effective current response tensor corresponding to standard relation n² = ε_effμ_eff 146

Ab initio calculations of the mechanical and acoustic properties of Ti₂-based Heusler alloys under pressures 140