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TURBOMOLE | Program Package for Electronic Structure Calculations
TURBOMOLE is a Quantum Chemistry program package and one of the fastest and most stable codes available for quantum chemical simulations (DFT, MP2).
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https://www.pearson.com/channels/intro-to-chemistry/learn/jules/9-electrons-in-atoms-and-the-periodic-table/electronic-structure-shells
Electronic Structure: Shells Explained: Definition, Examples, Practice & Video Lessons
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https://arxiv.org/abs/2209.12747v1
[2209.12747v1] Roadmap on Electronic Structure Codes in the Exascale Era
Abstract page for arXiv paper 2209.12747v1: Roadmap on Electronic Structure Codes in the Exascale Era
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ASESMA - African School on Electronic Structure Methods and Applications
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Dr. Barry DunietzPh.D. Columbia University, 2000Professor300 Williams Hallbdunietz@kent.edu330-672-8401 We employ and develop electronic structure
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https://openstax.org/books/chemistry-atoms-first-2e/pages/3-4-electronic-structure-of-atoms-electron-configurations
3.4 Electronic Structure of Atoms (Electron Configurations) - Chemistry: Atoms First 2e | OpenStax
The energy of atomic orbitals increases as the principal quantum number, n, increases. In any atom with two or more electrons, the repulsion between the...
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https://github.com/ElectronicStructureLibrary/esl-bundle
GitHub - ElectronicStructureLibrary/esl-bundle: The Electronic Structure Library Bundle. Please...
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Atomic Reference Data for Electronic Structure Calculations, Nitrogen | NIST
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https://www.muni.cz/vyzkum/publikace/692367
Application of first-principles electronic structure calculations in phase diagram construction, |...
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https://www.nist.gov/publications/transport-properties-few-layer-nbse2-electronic-structure-thermoelectric-properties
Transport Properties of Few-Layer NbSe2: from Electronic Structure to Thermoelectric Properties |...
Nov 29, 2022 - 4-layer NbSe2 is grown on SiO2 by molecular beam epitaxy.
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https://www.osti.gov/pages/biblio/2515645-electronic-structure-alternating-monolayer-trilayer-phase-la3ni2o7
Electronic structure of the alternating monolayer-trilayer phase of La3Ni2O7 (Journal Article) |...
The U.S. Department of Energy's Office of Scientific and Technical Information
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Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum...
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Atomic Reference Data for Electronic Structure Calculations, Samarium | NIST
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https://edubirdie.com/docs/massachusetts-institute-of-technology/5-61-physical-chemistry/88177-modern-electronic-structure-theory-basis-sets
Modern Electronic Structure Theory: Basis Sets | Lecture Note - Edubirdie
Understanding Modern Electronic Structure Theory: Basis Sets better is easy with our detailed Lecture Note and helpful study notes.
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https://www.pearson.com/channels/gob/exam-prep/ch-2-atoms-and-the-periodic-table/electronic-structure-subshells
Electronic Structure: Subshells | Test Your Skills with Real Questions
Explore Electronic Structure: Subshells with interactive practice questions. Get instant answer verification, watch video solutions, and gain a deeper...
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Atomic Reference Data for Electronic Structure Calculations, Magnesium | NIST
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Regulating Electronic Structure of Single-Atom Catalysts toward Efficient Bifunctional Oxygen...
The U.S. Department of Energy's Office of Scientific and Technical Information
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Atomic Reference Data for Electronic Structure Calculations, Rhodium | NIST
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https://www.semanticscholar.org/topic/Fine-electronic-structure/8179307
Fine electronic structure | Semantic Scholar
In solid state physics and physical chemistry, the fine electronic structure of an atom or ion is the structure of the energy levels induced by intrinsic...
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Recent advancements in electronic structure calculations
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https://www.pearson.com/channels/gob/learn/jules/ch-2-atoms-and-the-periodic-table/electronic-structure-electron-spin?chapterId=b16310f4
Electronic Structure: Electron Spin Explained: Definition, Examples, Practice & Video Lessons
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ASESMA - African School on Electronic Structure Methods and Applications
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CCP9 – Computational Electronic Structure of Condensed Matter – UK Electronic Structure
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X-ray Spectroscopy and Electronic Structure of Solids | NIST
Apr 7, 2025 - High-resolution x-ray spectroscopy is carried out at a synchrotron light source to study the electronic properties of insulating chemical compounds. The x-ray...
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https://wordpress.elsi-interchange.org/
ELectronic Structure Infrastructure
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Finding Electronic Structure Machine Learning Surrogates without Training (Technical Report) |...
A myriad of phenomena in materials science and chemistry rely on quantum-level simulations of the electronic structure in matter. While moving to larger length...
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https://www.scirp.org/journal/paperinformation?paperid=21695
Electronic Structure with Rovibrationl and Dipole Moment Study of the NiO Molecule
Explore the potential energy curves of NiO molecule's electronic states below 25000 cm-1. Discover calculated values for harmonic frequency, internuclear...
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https://www.caltech.edu/campus-life-events/calendar/marcus-center-electronic-structure-workshop-1
Marcus Center Workshop on Electronic Structure Theory - www.caltech.edu
California Institute of Technology
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[1108.5976] O(N) methods in electronic structure calculations
Abstract page for arXiv paper 1108.5976: O(N) methods in electronic structure calculations
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The U.S. Department of Energy's Office of Scientific and Technical Information
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Atomic Reference Data for Electronic Structure Calculations, Platinum | NIST
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Atomic Reference Data for Electronic Structure Calculations, Manganese | NIST
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https://arxiv.org/abs/cond-mat/0407205
[cond-mat/0407205] Electronic structure methods: Augmented Waves, Pseudopotentials and the...
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Elucidating the local atomic and electronic structure of amorphous oxidized superconducting niobium...
Nov 29, 2022 - Qubits made from superconducting materials are a mature platform for quantum information science application such as quantum computing.
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https://arxiv.org/abs/cond-mat/0604284
[cond-mat/0604284] Angle-Resolved Photoemission Spectroscopy on Electronic Structure and...
Abstract page for arXiv paper cond-mat/0604284: Angle-Resolved Photoemission Spectroscopy on Electronic Structure and Electron-Phonon Coupling in Cuprate...
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https://www.nist.gov/publications/electronic-structure-rearrangements-source-negative-differential-resistance-molecules
Electronic Structure Rearrangements as a Source of Negative Differential Resistance in Molecules |...
Oct 12, 2021 - A qualitative explanation for the experimentally observed negative differential resistance (NDR) in current-voltage characteristics of molecule-metal tunneling
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Atomic Reference Data for Electronic Structure Calculations, Phosphorus | NIST
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https://www.aanda.org/articles/aa/ref/2025/07/aa54230-25/aa54230-25.html
Structure, electronic collision, quantum, and semiclassical Stark broadening data for Nb V lines |...
https://www.ornl.gov/research-highlight/role-electron-correlations-electronic-structure-putative-chern-magnet-tbmn6sn6-0
The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6
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https://studylib.net/doc/27684126/atomic-spectra-ppt
Atomic Structure: Emission Spectra & Electronic Configuration
Explore atomic structure, emission spectra, orbital shapes, and electronic configuration in this high school chemistry presentation.
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The Nature of the Electronic Journal: Structure and Use of Information in Scholarly Electronic...
The Nature of the Electronic Journal:Structure and Use of Information in Scholarly Electronic Journals by Barbara DeFelice presented during the 1997 ACRL...
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https://www.ucl.ac.uk/mathematical-physical-sciences/news/2022/jan/ucl-chemists-shed-new-light-electronic-structure-green-fluorescent-protein-chromophore
UCL Chemists shed new light on the electronic structure of the green fluorescent protein...
Jan 27, 2022 - The Helen Fielding Group, in collaboration with the Quantum Photodynamics Lab at Chemistry Department of Moscow State University, use liquid-microjet...
https://www.aist.go.jp/aist_e/list/latest_research/2015/20150203/20150203.html
Measurement of the Detailed Electronic Structure of an Electrode When Charging and Discharging a...
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https://www.pew.org/en/research-and-analysis/fact-sheets/2020/10/how-to-structure-and-review-electronic-monitoring-programs-for-fisheries
How to Structure and Review Electronic Monitoring Programs for Fisheries | The Pew Charitable Trusts
Electronic monitoring (EM) programs for regional fisheries management organizations (RFMOs) can be structured in two ways: an RFMO-wide design or a...
https://arxiv.org/abs/2509.21555
[2509.21555] From VQE To SQD: Modern Quantum Algorithms For The Electronic Structure Problem
Abstract page for arXiv paper 2509.21555: From VQE To SQD: Modern Quantum Algorithms For The Electronic Structure Problem
https://www.aanda.org/articles/aa/abs/2025/07/aa54230-25/aa54230-25.html
Structure, electronic collision, quantum, and semiclassical Stark broadening data for Nb V lines |...