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1. Full Text Curvature and Frontier Orbital Energies in Density Functional Theory
by Stein, Tamar and Autschbach, Jochen and Govind, Niranjan and Kronik, Leeor and Baer, Roi
The journal of physical chemistry letters, ISSN 1948-7185, 12/2012, Volume 3, Issue 24, pp. 3740 - 3744
Molecular Structure, Quantum Chemistry, and General Theory | General Theory | Quantum Chemistry | Molecular Structure | Physical Sciences | Chemistry | Materials Science | Nanoscience & Nanotechnology | Technology | Materials Science, Multidisciplinary | Science & Technology - Other Topics | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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2. Full Text Orbital fluctuation theory in iron-based superconductors: s++-wave superconductivity, structure transition, and impurity-induced nematic order
by Kontani, Hiroshi and Inoue, Yoshio and Saito, Tetsuro and Yamakawa, Youichi and Onari, Seiichiro
Solid state communications, ISSN 0038-1098, 04/2012, Volume 152, Issue 8, pp. 718 - 727
D. Shear modulus softening | A. Iron-based superconductors | C. Structure transition | D. Superconductivity | D. Orbital fluctuation | Phase diagrams | Condensed matter: electronic structure, electrical, magnetic, and optical properties | Properties of type I and type II superconductors | Physics | Exact sciences and technology | Superconductivity | Anisotropy | Superconductors | Analysis
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3. Full Text Theory of photoinduced ultrafast switching to a spin-orbital ordered hidden phase
by Li, Jiajun and Strand, Hugo U. R and Werner, Philipp and Eckstein, Martin
Nature communications, ISSN 2041-1723, 12/2018, Volume 9, Issue 1, pp. 4581 - 7
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Equilibrium | Time | Switching | Physics - Strongly Correlated Electrons
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4. Full Text Theory of orbital susceptibility on excitonic insulator
by Matsuura, Hiroyasu and Ogata, Masao
Journal of the Physical Society of Japan, ISSN 0031-9015, 09/2016, Volume 85, Issue 9, p. 93701
Physics, Multidisciplinary | Physical Sciences | Physics | Science & Technology
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5. Full Text Breakdown of magnons in a strongly spin-orbital coupled magnet
by Winter, Stephen M and Riedl, Kira and Maksimov, Pavel A and Chernyshev, Alexander L and Honecker, Andreas and Valentí, Roser and Univ. of California, Irvine, CA (United States)
Nature communications, ISSN 2041-1723, 12/2017, Volume 8, Issue 1, pp. 1152 - 8
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Spin liquid | Condensed matter | Ruthenium trichloride | Anharmonicity | Excitation | Magnons | Magnets | Quantum theory | Physics - Strongly Correlated Electrons | CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
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6. Full Text What is semiempirical molecular orbital theory approximating?
by Margraf, Johannes T and Dral, Pavlo O
Journal of molecular modeling, ISSN 1610-2940, 5/2019, Volume 25, Issue 5, pp. 1 - 12
Theoretical and Computational Chemistry | Chemistry | NDDO | OM2 | Semiempirical molecular orbital theory | MNDO | Characterization and Evaluation of Materials | Correlated orbital theory | Molecular Medicine | Electron correlation | Computer Applications in Chemistry | Computer Appl. in Life Sciences | Biochemistry & Molecular Biology | Physical Sciences | Computer Science, Interdisciplinary Applications | Life Sciences & Biomedicine | Technology | Computer Science | Biophysics | Chemistry, Multidisciplinary | Science & Technology | Density functionals | Analysis | Organic chemistry | Molecular orbitals | Density functional theory | Quantum chemistry | Correlation analysis | Numerical methods
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7. Full Text Measuring orbital interaction using quantum information theory
by Rissler, Jörg and Noack, Reinhard M and White, Steven R
Chemical physics, ISSN 0301-0104, 2006, Volume 323, Issue 2, pp. 519 - 531
Density-matrix renormalization group | Orbital interaction | Quantum information theory | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Measurement | Atoms | Chemical properties | Analysis | Physics - Strongly Correlated Electrons
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8. Full Text Correlation of the Dzyaloshinskii-Moriya interaction with Heisenberg exchange and orbital asphericity
by Kim, Sanghoon and Ueda, Kohei and Go, Gyungchoon and Jang, Peong-Hwa and Lee, Kyung-Jin and Belabbes, Abderrezak and Manchon, Aurelien and Suzuki, Motohiro and Kotani, Yoshinori and Nakamura, Tetsuya and Nakamura, Kohji and Koyama, Tomohiro and Chiba, Daichi and Yamada, Kihiro. T and Kim, Duck-Ho and Moriyama, Takahiro and Kim, Kab-Jin and Ono, Teruo
Nature communications, ISSN 2041-1723, 12/2018, Volume 9, Issue 1, pp. 1648 - 9
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Particle theory | Broken symmetry | Magnetic dipoles | Metals | Domain walls | Magnetic moments | Physics | Asphericity | Anisotropy | Correlation analysis | Density functional theory | Dipole moments | Magnetism | Ferromagnetism | Magnetic fields | Hypothetical particles
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9. Full Text Single-photon double ionization: renormalized-natural-orbital theory versus multi-configurational Hartree-Fock
by Brics, M and Rapp, J and Bauer, D
Journal of physics. B, Atomic, molecular, and optical physics, ISSN 0953-4075, 06/2017, Volume 50, Issue 14, p. 144003
time-dependent density functional theory | multi-configurational time-dependent Hartree-Fock | correlated photoelectron spectra | single-photon double ionization | density matrices | Optics | Physical Sciences | Physics, Atomic, Molecular & Chemical | Physics | Science & Technology
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10. Full Text Coulomb correlations in 4d and 5d oxides from first principles-or how spin-orbit materials choose their effective orbital degeneracies
by Martins, C and Aichhorn, M and Biermann, S
Journal of physics. Condensed matter, ISSN 0953-8984, 5/2017, Volume 29, Issue 26, pp. 263001 - 263001
iridates | dynamical mean-field theory | rhodates | spin-orbit coupling | electronic structure | Physics, Condensed Matter | Physical Sciences | Physics | Science & Technology | Physics - Strongly Correlated Electrons | Strongly Correlated Electrons | Condensed Matter
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11. Full Text Spin and orbital exchange interactions from Dynamical Mean Field Theory
by Secchi, A and Lichtenstein, A.I and Katsnelson, M.I
Journal of magnetism and magnetic materials, ISSN 0304-8853, 02/2016, Volume 400, pp. 112 - 116
Magnetism in strongly correlated systems | Exchange interaction tensor | Dynamical Mean Field Theory | Green's functions | Orbital magnetism | Anisotropy | Analysis |