A simple geometrical path towards hybrid orbitals by Denis Rafael Nacbar, Allan Victor Ribeiro, Alexys Bruno-Alfonso

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Calculations of transport parameters in semiconductor superlattices based on the Greens’ functions method in different Hamiltonian representations by M. Mączka, G. Hałdaś

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A minimal tight-binding model for the quasi-one-dimensional superconductor K2Cr3As3 by Giuseppe Cuono, Carmine Autieri, Filomena Forte, Maria Teresa Mercaldo, Alfonso Romano, Adolfo Avella, Canio Noce

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Exciton ionization in multilayer transition-metal dichalcogenides by Thomas Garm Pedersen, Simone Latini, Kristian S Thygesen, Héctor Mera, Branislav K Nikolić

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Evolution of surface states of antiferromagnetic topological insulator MnBi2Te4 with tuning the surface magnetization by Zhilong Yang, Haijun Zhang

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Ballistic Transport in Nanostructures from First-Principles Simulations by Marzari, Nicola

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Discrete Nonlinear Schrödinger Systems for Periodic Media with Nonlocal Nonlinearity: The Case of Nematic Liquid Crystals by Panayotis Panayotaros

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The edge states of one-dimensional spin- -like noninteracting periodic systems under the most compactly supported Wannier-type functions by Shou-Long Chen

Subjects: “…compactly supported Wannier-type functions…”
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Crystallites and Electric Fields in Solid Ammonia by Dr. Andrew Cassidy, Dr. Rachel L. James, Dr. Anita Dawes, Prof. David Field

Subjects: “…Wannier-Mott exciton…”
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Ballistic Transport in Carbon Nanotubes from First-Principles Molecular Dynamics Simulations by Lee, Young-Su, Nardelli, Marco Buongiorno, Marzari, Nicola

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Advancing thermoelectric potential: strontium telluride under compression strain analyzed with HSE hybrid functional and Wannier interpolation by Hiren S. Patel, Vishnu A. Dabhi, Aditya M. Vora

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Linear scaling approach for optical excitations using maximally localized Wannier functions by Konrad Merkel, Frank Ortmann

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Investigation of Electron Crystallization in a HCP Structure by Ratnavelu RAJESWARAPALANICHAMY, Arjunan MURUGAN, Shunmugam KANAGAPRABHA, Shanmugam PUVANESWARI, Kombiah IYAKUTTI

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Kramers–Wannier Duality and Random-Bond Ising Model by Chaoming Song

Subjects: “…Kramers–Wannier duality…”
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Quantum mechanical computation of structural, electronic, and thermoelectric properties of AgSbSe2 by M Salimi, SH Sharifi, SJ Hashemifar

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First-principles calculation of optical responses based on nonorthogonal localized orbitals by Chong Wang, Sibo Zhao, Xiaomi Guo, Xinguo Ren, Bing-Lin Gu, Yong Xu, Wenhui Duan

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Derivation of the spin Hamiltonians for Fe in MgO by A Ferrón, F Delgado, J Fernández-Rossier

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Dephasing-assisted transport in a tight-binding chain with a linear potential by Samuel L. Jacob, Laetitia P. Bettmann, Artur M. Lacerda, Krissia Zawadzki, Stephen R. Clark, John Goold, John Goold, Juan José Mendoza-Arenas, Juan José Mendoza-Arenas, Juan José Mendoza-Arenas

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Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase by Pouya Partovi-Azar, Thomas D. Kühne

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Crystal field and Ce3+ ion energy levels of CeCl3 compound by L Mollabashi, E Sadeghi Kelishadi, S Jalali-Asadabadi

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