The European Physical Journal B

Volume 91 / No 6 (June 2018)

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Topical issue: Special issue in honor of Hardy Gross

Static correlated functionals for reduced density matrix functional theory 133

Carlos L. Benavides-Riveros and Miguel A.L. Marques

Published online: 27 June 2018

DOI: 10.1140/epjb/e2018-90167-8

Performance of the constrained minimization of the total energy in density functional approximations: the electron repulsion density and potential 130

Tom Pitts, Nikitas I. Gidopoulos and Nektarios N. Lathiotakis

Published online: 22 June 2018

DOI: 10.1140/epjb/e2018-90123-8

Exact-exchange density functional theory of the integer quantum Hall effect: strict 2D limit 129

D. Miravet and C.R. Proetto

Published online: 22 June 2018

DOI: 10.1140/epjb/e2018-90140-7

Open Access

Gradient-level and nonlocal density functional descriptions of Cu-Au intermetallic compounds 128

Henrik Levämäki, Liyun Tian, Kalevi Kokko and Levente Vitos

Published online: 22 June 2018

DOI: 10.1140/epjb/e2018-90166-9

Open Access

First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory 126

Shunsuke A. Sato, Hannes Hübener, Angel Rubio and Umberto De Giovannini

Published online: 22 June 2018

DOI: 10.1140/epjb/e2018-90108-7

Optical properties of six isomers of three dimensionally delocalized π-conjugated carbon nanocage 125

Yoshifumi Noguchi, Daichi Hirose and Osamu Sugino

Published online: 18 June 2018

DOI: 10.1140/epjb/e2018-90112-y

Transmission of the spin-spin coupling constants through hydrogen bonds in ammonia clusters 124

Jesús San Fabián, Salama Omar and José M. García de la Vega

Published online: 18 June 2018

DOI: 10.1140/epjb/e2018-90118-5

Open Access

Bond-breaking excitations with diverging coupling matrix of response density functional theory from highest-level functionals 122

Robert van Meer and Oleg V. Gritsenko

Published online: 18 June 2018

DOI: 10.1140/epjb/e2018-90088-6

Optical properties from time-dependent current-density-functional theory: the case of the alkali metals Na, K, Rb, and Cs 119

R. Ferradás, J.A. Berger and Pina Romaniello

Published online: 13 June 2018

DOI: 10.1140/epjb/e2018-90122-9

Time-dependent i-DFT exchange-correlation potentials with memory: applications to the out-of-equilibrium Anderson model 118

Stefan Kurth and Gianluca Stefanucci

Published online: 13 June 2018

DOI: 10.1140/epjb/e2018-90162-1

Time-dependent pair density functional theory 110

Ágnes Nagy

Published online: 11 June 2018

DOI: 10.1140/epjb/e2018-90082-0

Phase dilemma in natural orbital functional theory from the N-representability perspective 109

Ion Mitxelena, Mauricio Rodriguez-Mayorga and Mario Piris

Published online: 11 June 2018

DOI: 10.1140/epjb/e2018-90078-8

Density-functional energy gaps of solids demystified 108

John P. Perdew and Adrienn Ruzsinszky

Published online: 11 June 2018

DOI: 10.1140/epjb/e2018-90083-y

Spin active split-ring resonator for THz high harmonic generation 106

Dominik Schulze, Jonas Wätzel and Jamal Berakdar

Published online: 11 June 2018

DOI: 10.1140/epjb/e2018-90142-5

About the relation of electron–electron interaction potentials with exchange and correlation functionals 105

Adrián Gómez Pueyo and Alberto Castro

Published online: 06 June 2018

DOI: 10.1140/epjb/e2018-90109-6

Exchange-correlation functionals of i-DFT for asymmetrically coupled leads 101

Stefan Kurth and David Jacob

Published online: 04 June 2018

DOI: 10.1140/epjb/e2018-90184-7

Polarization in Kohn-Sham density-functional theory 100

Raffaele Resta

Published online: 04 June 2018

DOI: 10.1140/epjb/e2018-90089-5

A screened independent atom model for the description of ion collisions from atomic and molecular clusters 99

Hans Jürgen Lüdde, Marko Horbatsch and Tom Kirchner

Published online: 04 June 2018

DOI: 10.1140/epjb/e2018-90165-x

Time-dependent electron momenta from Born-Oppenheimer calculations 97

Thomas Schaupp, Julian Albert and Volker Engel

Published online: 04 June 2018

DOI: 10.1140/epjb/e2018-90113-x

Electron scattering in time-dependent density functional theory 96

Lionel Lacombe, Yasumitsu Suzuki, Kazuyuki Watanabe and Neepa T. Maitra

Published online: 04 June 2018

DOI: 10.1140/epjb/e2018-90101-2

Crossover between collective and independent-particle excitations in quasi-2D electron gas with one filled subband 95

Vladimir U. Nazarov

Published online: 04 June 2018

DOI: 10.1140/epjb/e2018-90107-8

Iterative approach for the moment representation of the density-density response function 94

Paul Ahlert, Arne Scherrer, Christian Dressler and Daniel Sebastiani

Published online: 04 June 2018

DOI: 10.1140/epjb/e2018-90040-x

Topical issue: Shaping Nanocatalysts

Theoretical investigation of the structures of unsupported 38-atom CuPt clusters 123

Josafat Guerrero-Jordan, José Luis Cabellos, Roy L. Johnston and Alvaro Posada-Amarillas

Published online: 18 June 2018

DOI: 10.1140/epjb/e2018-90020-2

Open Access

Anionic cobalt-platinum-ethynyl (CoPt–C₂H) metal-organic subnanoparticles: a DFT modeling study 120

Mikail Aslan and Roy L. Johnston

Published online: 18 June 2018

DOI: 10.1140/epjb/e2018-90004-2

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

Fundamental energy limits of SET-based Brownian NAND and half-adder circuits - Preliminary findings from a physical-information-theoretic methodology 113

İlke Ercan and Enes Suyabatmaz

Published online: 13 June 2018

DOI: 10.1140/epjb/e2018-80619-6

Waveguides as sources of short-wavelength spin waves for low-energy ICT applications 107

Adam Papp, György Csaba, Himadri Dey, Marco Madami, Wolfgang Porod and Giovanni Carlotti

Published online: 11 June 2018

DOI: 10.1140/epjb/e2018-80623-x

Coupled Brownian motors 103

Julián I. Peña Rosselló, Roberto R. Deza and Horacio S. Wio

Published online: 06 June 2018

DOI: 10.1140/epjb/e2018-80624-9

Thermodynamic reversible transformations in micro-electro-mechanical systems 102

Igor Neri and Miquel López-Suárez

Published online: 06 June 2018

DOI: 10.1140/epjb/e2018-80632-9

Theoretical study of mechanical, thermal and optical properties of (Ti_1−xNb_x)₃AlC₂ solid solutions 134

Zhao-Yong Jiao, Shu-Hong Ma and Yong-Liang Guo

Published online: 27 June 2018

DOI: 10.1140/epjb/e2018-80696-5

Ballistic transport in aperiodic Labyrinth tiling proven through a new convolution theorem 132

Fernando Sánchez, Vicenta Sánchez and Chumin Wang

Published online: 27 June 2018

DOI: 10.1140/epjb/e2018-90070-4

Diamagnetism and the dispersion of the magnetic permeability 131

Christopher A. Dirdal and Johannes Skaar

Published online: 22 June 2018

DOI: 10.1140/epjb/e2018-80515-1

Highlight

Google matrix of Bitcoin network 127

Leonardo Ermann, Klaus M. Frahm and Dima L. Shepelyansky

Published online: 22 June 2018

DOI: 10.1140/epjb/e2018-80674-y

A first-principles study on DNA sequencing using graphene quantum dot 121

Morteza Rastgoo, Seyed-Mohammad Tabatabaei and Morteza Fathipour

Published online: 18 June 2018

DOI: 10.1140/epjb/e2018-80666-y

Global quantum discord and matrix product density operators 117

Hai-Lin Huang, Hong-Guang Cheng, Xiao Guo, Duo Zhang, Yuyin Wu, Jian Xu and Zhao-Yu Sun

Published online: 13 June 2018

DOI: 10.1140/epjb/e2018-80691-x

Effect of magnetic impurities in chiral p-wave superconducting nanoloops 116

Guo-Qiao Zha, Zhao Zhan and Shi-Ping Zhou

Published online: 13 June 2018

DOI: 10.1140/epjb/e2018-90018-8

Density correlations induced by temperature fluctuations in a photon gas 115

Roman Tomaschitz

Published online: 13 June 2018

DOI: 10.1140/epjb/e2018-80673-0

Modulated class A laser: stochastic resonance in a limit-cycle potential system 114

Catalina Mayol, Raúl Toral and Horacio S. Wio

Published online: 13 June 2018

DOI: 10.1140/epjb/e2018-90194-5

The effect of heterogeneous defectors on the evolution of public cooperation 112

Tong Chen, Xuezhi Hu, Yongjie Wang and Le Wang

Published online: 13 June 2018

DOI: 10.1140/epjb/e2018-90042-8

Cessation of oscillations in a chemo-mechanical oscillator 111

Richa Phogat, Ishant Tiwari, Pawan Kumar, Marco Rivera and Punit Parmananda

Published online: 13 June 2018

DOI: 10.1140/epjb/e2018-80625-8

Plastic avalanches in the so-called elastic regime of metallic glasses 104

Alexandra E. Lagogianni, Chen Liu, Kirsten Martens and Konrad Samwer

Published online: 06 June 2018

DOI: 10.1140/epjb/e2018-90051-7

Hot-electron transport and ultrafast magnetization dynamics in magnetic multilayers and nanostructures following femtosecond laser pulse excitation 98

Grégory Malinowski, Nicolas Bergeard, Michel Hehn and Stéphane Mangin

Published online: 04 June 2018

DOI: 10.1140/epjb/e2018-80555-5

EPJ

The European Physical Journal B

Volume 91 / No 6 (June 2018)

Topical issue: Special issue in honor of Hardy Gross

Static correlated functionals for reduced density matrix functional theory 133

Performance of the constrained minimization of the total energy in density functional approximations: the electron repulsion density and potential 130

Exact-exchange density functional theory of the integer quantum Hall effect: strict 2D limit 129

Gradient-level and nonlocal density functional descriptions of Cu-Au intermetallic compounds 128

First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory 126

Optical properties of six isomers of three dimensionally delocalized π-conjugated carbon nanocage 125

Transmission of the spin-spin coupling constants through hydrogen bonds in ammonia clusters 124

Bond-breaking excitations with diverging coupling matrix of response density functional theory from highest-level functionals 122

Optical properties from time-dependent current-density-functional theory: the case of the alkali metals Na, K, Rb, and Cs 119

Time-dependent i-DFT exchange-correlation potentials with memory: applications to the out-of-equilibrium Anderson model 118

Time-dependent pair density functional theory 110

Phase dilemma in natural orbital functional theory from the N-representability perspective 109

Density-functional energy gaps of solids demystified 108

Spin active split-ring resonator for THz high harmonic generation 106

About the relation of electron–electron interaction potentials with exchange and correlation functionals 105

Exchange-correlation functionals of i-DFT for asymmetrically coupled leads 101

Polarization in Kohn-Sham density-functional theory 100

A screened independent atom model for the description of ion collisions from atomic and molecular clusters 99

Time-dependent electron momenta from Born-Oppenheimer calculations 97

Electron scattering in time-dependent density functional theory 96

Crossover between collective and independent-particle excitations in quasi-2D electron gas with one filled subband 95

Iterative approach for the moment representation of the density-density response function 94

Topical issue: Shaping Nanocatalysts

Theoretical investigation of the structures of unsupported 38-atom CuPt clusters 123

Anionic cobalt-platinum-ethynyl (CoPt–C2H) metal-organic subnanoparticles: a DFT modeling study 120

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

Fundamental energy limits of SET-based Brownian NAND and half-adder circuits - Preliminary findings from a physical-information-theoretic methodology 113

Waveguides as sources of short-wavelength spin waves for low-energy ICT applications 107

Coupled Brownian motors 103

Thermodynamic reversible transformations in micro-electro-mechanical systems 102

Theoretical study of mechanical, thermal and optical properties of (Ti1−xNbx)3AlC2 solid solutions 134

Ballistic transport in aperiodic Labyrinth tiling proven through a new convolution theorem 132

Diamagnetism and the dispersion of the magnetic permeability 131

Google matrix of Bitcoin network 127

A first-principles study on DNA sequencing using graphene quantum dot 121

Global quantum discord and matrix product density operators 117

Effect of magnetic impurities in chiral p-wave superconducting nanoloops 116

Density correlations induced by temperature fluctuations in a photon gas 115

Modulated class A laser: stochastic resonance in a limit-cycle potential system 114

The effect of heterogeneous defectors on the evolution of public cooperation 112

Cessation of oscillations in a chemo-mechanical oscillator 111

Plastic avalanches in the so-called elastic regime of metallic glasses 104

Hot-electron transport and ultrafast magnetization dynamics in magnetic multilayers and nanostructures following femtosecond laser pulse excitation 98

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Conference announcements

Anionic cobalt-platinum-ethynyl (CoPt–C₂H) metal-organic subnanoparticles: a DFT modeling study 120

Theoretical study of mechanical, thermal and optical properties of (Ti_1−xNb_x)₃AlC₂ solid solutions 134