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 *

174 related articles for article (PubMed ID: 35922343)

  • 1. Quantifying and reducing spin contamination in algebraic diagrammatic construction theory of charged excitations.
    Stahl TL; Banerjee S; Sokolov AY
    J Chem Phys; 2022 Jul; 157(4):044106. PubMed ID: 35922343
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations.
    Stahl TL; Sokolov AY
    J Chem Phys; 2024 May; 160(20):. PubMed ID: 38775244
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Non-Dyson Algebraic Diagrammatic Construction Theory for Charged Excitations in Solids.
    Banerjee S; Sokolov AY
    J Chem Theory Comput; 2022 Sep; 18(9):5337-5348. PubMed ID: 35976918
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Multireference Algebraic Diagrammatic Construction Theory for Excited States: Extended Second-Order Implementation and Benchmark.
    Mazin IM; Sokolov AY
    J Chem Theory Comput; 2021 Oct; 17(10):6152-6165. PubMed ID: 34553937
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Efficient implementation of the single-reference algebraic diagrammatic construction theory for charged excitations: Applications to the TEMPO radical and DNA base pairs.
    Banerjee S; Sokolov AY
    J Chem Phys; 2021 Feb; 154(7):074105. PubMed ID: 33607870
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Extended Second-Order Multireference Algebraic Diagrammatic Construction Theory for Charged Excitations.
    Chatterjee K; Sokolov AY
    J Chem Theory Comput; 2020 Oct; 16(10):6343-6357. PubMed ID: 32877184
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Polishing the Gold Standard: The Role of Orbital Choice in CCSD(T) Vibrational Frequency Prediction.
    Bertels LW; Lee J; Head-Gordon M
    J Chem Theory Comput; 2021 Feb; 17(2):742-755. PubMed ID: 33404238
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Third-order algebraic diagrammatic construction theory for electron attachment and ionization energies: Conventional and Green's function implementation.
    Banerjee S; Sokolov AY
    J Chem Phys; 2019 Dec; 151(22):224112. PubMed ID: 31837698
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Fourth-Order Algebraic Diagrammatic Construction for Electron Detachment and Attachment: The IP- and EA-ADC(4) Methods.
    Leitner J; Dempwolff AL; Dreuw A
    J Phys Chem A; 2024 Sep; 128(36):7680-7690. PubMed ID: 39213621
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Communication: ROHF theory made simple.
    Tsuchimochi T; Scuseria GE
    J Chem Phys; 2010 Oct; 133(14):141102. PubMed ID: 20949979
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Symmetry breaking in the cyclic C(3)C(2)H radical.
    Mintz B; Crawford TD
    Phys Chem Chem Phys; 2010 Dec; 12(47):15459-67. PubMed ID: 20978676
    [TBL] [Abstract][Full Text] [Related]  

  • 13. UREMP, RO-REMP, and OO-REMP: Hybrid perturbation theories for open-shell electronic structure calculations.
    Behnle S; Fink RF
    J Chem Phys; 2022 Mar; 156(12):124103. PubMed ID: 35364878
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Vertical ionization potential benchmark for unitary coupled-cluster and algebraic-diagrammatic construction methods.
    Dempwolff AL; Hodecker M; Dreuw A
    J Chem Phys; 2022 Feb; 156(5):054114. PubMed ID: 35135273
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Coupled cluster methods including triple excitations for excited states of radicals.
    Smith CE; King RA; Crawford TD
    J Chem Phys; 2005 Feb; 122(5):54110. PubMed ID: 15740313
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Algebraic Diagrammatic Construction Theory for Simulating Charged Excited States and Photoelectron Spectra.
    Banerjee S; Sokolov AY
    J Chem Theory Comput; 2023 Jun; 19(11):3037-3053. PubMed ID: 37191264
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Perturbation theoretical approaches to strong light-matter coupling in ground and excited electronic states for the description of molecular polaritons.
    Bauer M; Dreuw A
    J Chem Phys; 2023 Mar; 158(12):124128. PubMed ID: 37003729
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Canonical form of the Hartree-Fock orbitals in open-shell systems.
    Plakhutin BN; Davidson ER
    J Chem Phys; 2014 Jan; 140(1):014102. PubMed ID: 24410216
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Scalable Electron Correlation Methods. 7. Local Open-Shell Coupled-Cluster Methods Using Pair Natural Orbitals: PNO-RCCSD and PNO-UCCSD.
    Ma Q; Werner HJ
    J Chem Theory Comput; 2020 May; 16(5):3135-3151. PubMed ID: 32275428
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Accurate Prediction of Hyperfine Coupling Tensors for Main Group Elements Using a Unitary Group Based Rigorously Spin-Adapted Coupled-Cluster Theory.
    Datta D; Gauss J
    J Chem Theory Comput; 2019 Mar; 15(3):1572-1592. PubMed ID: 30698956
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.