These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

154 related articles for article (PubMed ID: 33639760)

  • 1. Feshbach-Fano approach for calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions. I. Theory and implementation.
    Skomorowski W; Krylov AI
    J Chem Phys; 2021 Feb; 154(8):084124. PubMed ID: 33639760
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Feshbach-Fano approach for calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions. II. Numerical examples and benchmarks.
    Skomorowski W; Krylov AI
    J Chem Phys; 2021 Feb; 154(8):084125. PubMed ID: 33639736
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular Auger decay rates from complex-variable coupled-cluster theory.
    Matz F; Jagau TC
    J Chem Phys; 2022 Mar; 156(11):114117. PubMed ID: 35317579
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Multireference Approach to Normal and Resonant Auger Spectra Based on the One-Center Approximation.
    Tenorio BNC; Voß TA; Bokarev SI; Decleva P; Coriani S
    J Chem Theory Comput; 2022 Jul; 18(7):4387-4407. PubMed ID: 35737643
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states.
    Vidal ML; Krylov AI; Coriani S
    Phys Chem Chem Phys; 2020 Feb; 22(5):2693-2703. PubMed ID: 31696165
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The Auger spectrum of benzene.
    Jayadev NK; Ferino-Pérez A; Matz F; Krylov AI; Jagau TC
    J Chem Phys; 2023 Feb; 158(6):064109. PubMed ID: 36792526
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Cherry-Picking Resolvents: Recovering the Valence Contribution in X-ray Two-Photon Absorption within the Core-Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory.
    Andersen JH; Nanda KD; Krylov AI; Coriani S
    J Chem Theory Comput; 2022 Oct; 18(10):6189-6202. PubMed ID: 36084326
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Cherry-picking resolvents: A general strategy for convergent coupled-cluster damped response calculations of core-level spectra.
    Nanda KD; Krylov AI
    J Chem Phys; 2020 Oct; 153(14):141104. PubMed ID: 33086843
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Dyson orbitals for ionization from the ground and electronically excited states within equation-of-motion coupled-cluster formalism: theory, implementation, and examples.
    Oana CM; Krylov AI
    J Chem Phys; 2007 Dec; 127(23):234106. PubMed ID: 18154374
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Core hole screening and decay rates of double core ionized first row hydrides.
    Inhester L; Groenhof G; Grubmüller H
    J Chem Phys; 2013 Apr; 138(16):164304. PubMed ID: 23635135
    [TBL] [Abstract][Full Text] [Related]  

  • 11. New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States.
    Vidal ML; Feng X; Epifanovsky E; Krylov AI; Coriani S
    J Chem Theory Comput; 2019 May; 15(5):3117-3133. PubMed ID: 30964297
    [TBL] [Abstract][Full Text] [Related]  

  • 12. How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core-valence separation.
    Nanda KD; Vidal ML; Faber R; Coriani S; Krylov AI
    Phys Chem Chem Phys; 2020 Feb; 22(5):2629-2641. PubMed ID: 31599295
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations.
    Epifanovsky E; Klein K; Stopkowicz S; Gauss J; Krylov AI
    J Chem Phys; 2015 Aug; 143(6):064102. PubMed ID: 26277122
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks.
    Gulania S; Kjønstad EF; Stanton JF; Koch H; Krylov AI
    J Chem Phys; 2021 Mar; 154(11):114115. PubMed ID: 33752380
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Complex-scaled equation-of-motion coupled-cluster method with single and double substitutions for autoionizing excited states: theory, implementation, and examples.
    Bravaya KB; Zuev D; Epifanovsky E; Krylov AI
    J Chem Phys; 2013 Mar; 138(12):124106. PubMed ID: 23556708
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Equation-of-Motion Coupled-Cluster Theory to Model L-Edge X-ray Absorption and Photoelectron Spectra.
    Vidal ML; Pokhilko P; Krylov AI; Coriani S
    J Phys Chem Lett; 2020 Oct; 11(19):8314-8321. PubMed ID: 32897075
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Auger decay of molecular double core-hole and its satellite states: comparison of experiment and calculation.
    Tashiro M; Nakano M; Ehara M; Penent F; Andric L; Palaudoux J; Ito K; Hikosaka Y; Kouchi N; Lablanquie P
    J Chem Phys; 2012 Dec; 137(22):224306. PubMed ID: 23249002
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ultrafast Molecular Three-Electron Auger Decay.
    Feifel R; Eland JH; Squibb RJ; Mucke M; Zagorodskikh S; Linusson P; Tarantelli F; Kolorenč P; Averbukh V
    Phys Rev Lett; 2016 Feb; 116(7):073001. PubMed ID: 26943531
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Static polarizabilities for excited states within the spin-conserving and spin-flipping equation-of-motion coupled-cluster singles and doubles formalism: Theory, implementation, and benchmarks.
    Nanda KD; Krylov AI
    J Chem Phys; 2016 Nov; 145(20):204116. PubMed ID: 27908122
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A Core-Valence Separated Similarity Transformed EOM-CCSD Method for Core-Excitation Spectra.
    Ranga S; Dutta AK
    J Chem Theory Comput; 2021 Dec; 17(12):7428-7446. PubMed ID: 34814683
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.