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PreprintLicence not statedChemRxiv

Analytic Energy Gradients for Unrestricted Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory

  • Vladimir Makhnev1,2
  • Konstantin Komarov3
  • Hiroya Nakata4
  • Seunghoon Lee1,5
  • Cheol Ho Choi1,2
5 affiliations
  1. 1Department of Chemistry
  2. 2Kyungpook National University
  3. 3Department of Chemistry, UNIST, UNIST-gil 50, Ulsan, Republic of Korea, 44919
  4. 4Fukui Institute for Fundamental Chemistry, Kyoto University
  5. 5Seoul National University
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Cite

BibTeXRIS
BibTeX
@misc{makhnev2026analytic,
  title = {{Analytic Energy Gradients for Unrestricted Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory}},
  author = {Vladimir Makhnev and Konstantin Komarov and Hiroya Nakata and Seunghoon Lee and Cheol Ho Choi},
  howpublished = {ChemRxiv},
  year = {2026},
  month = sep,
  doi = {10.26434/chemrxiv.15009233/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009233/v1},
}
RIS
TY  - UNPB
TI  - Analytic Energy Gradients for Unrestricted Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory
AU  - Vladimir Makhnev
AU  - Konstantin Komarov
AU  - Hiroya Nakata
AU  - Seunghoon Lee
AU  - Cheol Ho Choi
PY  - 2026
DA  - 2026/09/22
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15009233/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009233/v1
ER  -