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spin

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13 results in Keywords: spin

Chemistry

Working Paper

Stochastic-SplitGAS: A Quantum Monte Carlo Multi-Reference Perturbation Theory Based on the Imaginary-Time Evolution of Effective Hamiltonians

Luca Bonfirraro, Oskar Weser, Maru Song, Giovanni Li Manni

Version 1 posted 04 August 2025

327

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Chemistry

Working Paper

Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty Approach

Giovanni Li Manni, Oskar Weser, Niklas Liebermann, Daniel Kats, Ali Alavi

Version 1 posted 17 January 2022

538

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Chemistry

Working Paper

Bacterial Extracellular Electron Transfer Components are Spin Selective

Christina M. Niman, Nir Sukenik, Tram Dang, Justus Nwachukwu, Anne K. Jones, Ron Naaman, Kakali Santra, Tapan K. Das, Yossi Paltiel, Lech Tomasz Baczewski, Mohamed Y. El-Naggar

Version 1 posted 03 April 2023

618

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Chemistry

Working Paper

Low-Frequency Vibrational Spectroscopy: A Powerful Tool for Revealing Crystalline Magnetic Structures

Zihui Song, Xudong Liu, Anish Ochani, Suling Shen, Qiqi Li, Yiwen Sun, Michael Ruggiero

Version 2 posted 15 July 2021

752

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Chemistry

Working Paper

Facile hyperpolarization chemistry for molecular imaging and metabolic tracking of [1-13C]pyruvate in vivo

Austin Browning, Keilian MacCulloch, David Guarin Bedoya, Carlos Dedesma, Boyd M Goodson, Matthew S Rosen, Eduard Y Chekmenev, Yi-Fen Yen, Patrick TomHon, Thomas Theis

Version 1 posted 20 March 2023

784

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Citations

Chemistry

Working Paper

Time-reversal equivariant neural network potential and Hamiltonian for magnetic materials

Hongyu Yu, Yang Zhong, Junyi Ji, Xingao Gong, Hongjun Xiang

Version 1 posted 23 November 2022

609

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Citations

Chemistry

Working Paper

Machine-Learning Screening of Inorganic Compounds for Defect Spin Properties

Abdullahi Isse

Version 1 posted 07 June 2024

342

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Physics and Astronomy

Working Paper

Unified Description of Dirac and Proca Equations by Entangled Spin Fields

Alexandru Gabriel Mitruț

Version 1 posted 15 March 2024

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Chemistry

Working Paper

X-ray Emission Spectroscopy of Single Protein Crystals Yields Insights into Heme Enzyme Intermediates

Sahand Emamian, Kendra A. Ireland, Vatsal Purohit, Kirklin L. McWhorter, Olga Maximova, Winter Allen, Scott Jensen, Diego Casa, Yulia Pushkar, Katherine Davis

Version 2 posted 05 October 2022

653

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Chemistry

Working Paper

Probing the design rules for densely packed organic triplet media for spin-based quantum devices

Max Attwood, Yingxu Li, Irena Nevjestic, Phil Diggle, Alberto Collauto, Muskaan Betala, Andrew J. P. White, Mark Oxborrow

Version 1 posted 24 April 2024

654

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13 results in spin in Keywords: spin

Stochastic-SplitGAS: A Quantum Monte Carlo Multi-Reference Perturbation Theory Based on the Imaginary-Time Evolution of Effective Hamiltonians

Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty Approach

Bacterial Extracellular Electron Transfer Components are Spin Selective

Low-Frequency Vibrational Spectroscopy: A Powerful Tool for Revealing Crystalline Magnetic Structures

Facile hyperpolarization chemistry for molecular imaging and metabolic tracking of [1-13C]pyruvate in vivo

Time-reversal equivariant neural network potential and Hamiltonian for magnetic materials

Machine-Learning Screening of Inorganic Compounds for Defect Spin Properties

Unified Description of Dirac and Proca Equations by Entangled Spin Fields

X-ray Emission Spectroscopy of Single Protein Crystals Yields Insights into Heme Enzyme Intermediates

Probing the design rules for densely packed organic triplet media for spin-based quantum devices

13 results in Keywords: spin