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 *

114 related articles for article (PubMed ID: 36084326)

  • 1. 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]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. 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]  

  • 6. 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]  

  • 7. New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering.
    Schnack-Petersen AK; Moitra T; Folkestad SD; Coriani S
    J Phys Chem A; 2023 Feb; 127(7):1775-1793. PubMed ID: 36763003
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach.
    Arias-Martinez JE; Cunha LA; Oosterbaan KJ; Lee J; Head-Gordon M
    Phys Chem Chem Phys; 2022 Sep; 24(35):20728-20741. PubMed ID: 36004629
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations.
    Goings JJ; Caricato M; Frisch MJ; Li X
    J Chem Phys; 2014 Oct; 141(16):164116. PubMed ID: 25362281
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core-Valence-Separated Equation-of-Motion Coupled-Cluster Methods.
    Liu J; Matthews D; Coriani S; Cheng L
    J Chem Theory Comput; 2019 Mar; 15(3):1642-1651. PubMed ID: 30702889
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Theory, implementation, and disappointing results for two-photon absorption cross sections within the doubly electron-attached equation-of-motion coupled-cluster framework.
    Nanda KD; Gulania S; Krylov AI
    J Chem Phys; 2023 Feb; 158(5):054102. PubMed ID: 36754800
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Core-valence-separated coupled-cluster-singles-and-doubles complex-polarization-propagator approach to X-ray spectroscopies.
    Faber R; Coriani S
    Phys Chem Chem Phys; 2020 Feb; 22(5):2642-2647. PubMed ID: 31478538
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework.
    Coriani S; Koch H
    J Chem Phys; 2015 Nov; 143(18):181103. PubMed ID: 26567637
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac-Coulomb(-Gaunt) Hamiltonian.
    Halbert L; Vidal ML; Shee A; Coriani S; Severo Pereira Gomes A
    J Chem Theory Comput; 2021 Jun; 17(6):3583-3598. PubMed ID: 33944570
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Transition-potential coupled cluster.
    Simons M; Matthews DA
    J Chem Phys; 2021 Jan; 154(1):014106. PubMed ID: 33412876
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy.
    Peng B; Lestrange PJ; Goings JJ; Caricato M; Li X
    J Chem Theory Comput; 2015 Sep; 11(9):4146-53. PubMed ID: 26575909
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Accurate Core-Excited States via Inclusion of Core Triple Excitations in Similarity-Transformed Equation-of-Motion Theory.
    Simons M; Matthews DA
    J Chem Theory Comput; 2022 Jun; 18(6):3759-3765. PubMed ID: 35536592
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Equation-of-motion coupled-cluster theory based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited states.
    Shee A; Saue T; Visscher L; Severo Pereira Gomes A
    J Chem Phys; 2018 Nov; 149(17):174113. PubMed ID: 30409011
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.