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Works (11)

Small tensor product distributed active space (STP-DAS) framework for relativistic and non-relativistic multiconfiguration calculations: Scaling from 109 on a laptop to 1012 determinants on a supercomputer

Chemical Physics Reviews
2024-12-01 | Journal article
DOI: 10.1063/5.0227122
Contributors: Hang Hu; Shiv Upadhyay; Lixin Lu; Andrew J. Jenkins; Tianyuan Zhang; Agam Shayit; Stefan Knecht; Xiaosong Li
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Direct Probe of Conical Intersection Photochemistry by Time-Resolved X-ray Magnetic Circular Dichroism

Journal of the American Chemical Society
2024-07-24 | Journal article
DOI: 10.1021/jacs.4c03033
Contributors: Shichao Sun; Bing Gu; Hang Hu; Lixin Lu; Diandong Tang; Vladimir Y. Chernyak; Xiaosong Li; Shaul Mukamel
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Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning

The Journal of Chemical Physics
2024-06-28 | Journal article
DOI: 10.1063/5.0203800
Contributors: Diptarka Hait; Dean Lahana; O. Jonathan Fajen; Amiel S. P. Paz; Pablo A. Unzueta; Bhaskar Rana; Lixin Lu; Yuanheng Wang; Eirik F. Kjønstad; Henrik Koch et al.
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Attosecond-pump attosecond-probe x-ray spectroscopy of liquid water

Science
2024-03-08 | Journal article
DOI: 10.1126/science.adn6059
Contributors: Shuai Li; Lixin Lu; Swarnendu Bhattacharyya; Carolyn Pearce; Kai Li; Emily T. Nienhuis; Gilles Doumy; R. D. Schaller; S. Moeller; M.-F. Lin et al.
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Correlated Dirac–Coulomb–Breit multiconfigurational self-consistent-field methods

The Journal of Chemical Physics
2023-01-28 | Journal article
DOI: 10.1063/5.0133741
Contributors: Chad E. Hoyer; Lixin Lu; Hang Hu; Kirill D. Shumilov; Shichao Sun; Stefan Knecht; Xiaosong Li
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Crossref

Relativistic Kramers-Unrestricted Exact-Two-Component Density Matrix Renormalization Group

The Journal of Physical Chemistry A
2022-08-04 | Journal article
DOI: 10.1021/acs.jpca.2c02150
Contributors: Chad E. Hoyer; Hang Hu; Lixin Lu; Stefan Knecht; Xiaosong Li
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Crossref

Exact-Two-Component Relativistic Multireference Second-Order Perturbation Theory

Journal of Chemical Theory and Computation
2022-05-10 | Journal article
DOI: 10.1021/acs.jctc.2c00171
Contributors: Lixin Lu; Hang Hu; Andrew J. Jenkins; Xiaosong Li
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Crossref

Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L-Edge X-ray Absorption Spectra

Journal of Chemical Theory and Computation
2022-01-11 | Journal article
DOI: 10.1021/acs.jctc.1c00564
Contributors: Andrew J. Jenkins; Hang Hu; Lixin Lu; Michael J. Frisch; Xiaosong Li
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Defect-Induced Magnetic Skyrmion in a Two-Dimensional Chromium Triiodide Monolayer

JACS Au
2021-09-27 | Journal article
DOI: 10.1021/jacsau.1c00142
Contributors: Ryan A. Beck; Lixin Lu; Peter V. Sushko; Xiaodong Xu; Xiaosong Li
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Crossref

The “Hole” Story in Ionized Water from the Perspective of Ehrenfest Dynamics

The Journal of Physical Chemistry Letters
2020-11-10 | Journal article
DOI: 10.1021/acs.jpclett.0c02987
Part of ISSN: 1948-7185
Contributors: Lixin Lu; Andrew Wildman; Andrew J. Jenkins; Linda Young; Aurora E. Clark; Xiaosong Li
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Lixin Lu via Crossref Metadata Search

Spectroscopic Signatures of the B and H4 Polyatomic Nitrogen Aggregates in Nanodiamond

The Journal of Physical Chemistry C
2020-08-20 | Journal article
DOI: 10.1021/acs.jpcc.0c03106
Part of ISSN: 1932-7447
Part of ISSN: 1932-7455
Source: Self-asserted source
Lixin Lu

Peer review (1 review for 1 publication/grant)

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