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 *

133 related articles for article (PubMed ID: 35763592)

  • 1. Atomic Mean-Field Approach within Exact Two-Component Theory Based on the Dirac-Coulomb-Breit Hamiltonian.
    Zhang C; Cheng L
    J Phys Chem A; 2022 Jul; 126(27):4537-4553. PubMed ID: 35763592
    [TBL] [Abstract][Full Text] [Related]  

  • 2. An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling.
    Liu J; Cheng L
    J Chem Phys; 2018 Apr; 148(14):144108. PubMed ID: 29655325
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Scalar Breit interaction for molecular calculations.
    Sun S; Ehrman J; Zhang T; Sun Q; Dyall KG; Li X
    J Chem Phys; 2023 May; 158(17):. PubMed ID: 37139994
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A new computational framework for spinor-based relativistic exact two-component calculations using contracted basis functions.
    Zhang C; Peterson KA; Dyall KG; Cheng L
    J Chem Phys; 2024 Aug; 161(5):. PubMed ID: 39087536
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Large-scale Dirac-Fock-Breit method using density fitting and 2-spinor basis functions.
    Kelley MS; Shiozaki T
    J Chem Phys; 2013 May; 138(20):204113. PubMed ID: 23742460
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules.
    Zhang C; Lipparini F; Stopkowicz S; Gauss J; Cheng L
    J Chem Theory Comput; 2024 Jan; 20(2):787-798. PubMed ID: 38198515
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac-Coulomb-Breit-Parameterized Effective Spin-Orbit Coupling.
    Ehrman J; Martinez-Baez E; Jenkins AJ; Li X
    J Chem Theory Comput; 2023 Sep; 19(17):5785-5790. PubMed ID: 37589436
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Efficient evaluation of the Breit operator in the Pauli spinor basis.
    Sun S; Ehrman J; Sun Q; Li X
    J Chem Phys; 2022 Aug; 157(6):064112. PubMed ID: 35963720
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A study of non-iterative triples contributions in relativistic equation-of-motion coupled-cluster calculations using an exact two-component Hamiltonian with atomic mean-field spin-orbit integrals: Application to uranyl and other heavy-element compounds.
    Cheng L
    J Chem Phys; 2019 Sep; 151(10):104103. PubMed ID: 31521080
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A closed-shell coupled-cluster treatment of the Breit-Pauli first-order relativistic energy correction.
    Coriani S; Helgaker T; Jørgensen P; Klopper W
    J Chem Phys; 2004 Oct; 121(14):6591-8. PubMed ID: 15473713
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Geometry optimizations with spinor-based relativistic coupled-cluster theory.
    Zheng X; Zhang C; Liu J; Cheng L
    J Chem Phys; 2022 Apr; 156(15):151101. PubMed ID: 35459315
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory.
    Zhang T; Banerjee S; Koulias LN; Valeev EF; DePrince AE; Li X
    J Phys Chem A; 2024 May; 128(17):3408-3418. PubMed ID: 38651293
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Correlated Dirac-Coulomb-Breit multiconfigurational self-consistent-field methods.
    Hoyer CE; Lu L; Hu H; Shumilov KD; Sun S; Knecht S; Li X
    J Chem Phys; 2023 Jan; 158(4):044101. PubMed ID: 36725503
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Efficient Four-Component Dirac-Coulomb-Gaunt Hartree-Fock in the Pauli Spinor Representation.
    Sun S; Stetina TF; Zhang T; Hu H; Valeev EF; Sun Q; Li X
    J Chem Theory Comput; 2021 Jun; 17(6):3388-3402. PubMed ID: 34029469
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Accurate relativistic energy-consistent pseudopotentials for the superheavy elements 111 to 118 including quantum electrodynamic effects.
    Hangele T; Dolg M; Hanrath M; Cao X; Schwerdtfeger P
    J Chem Phys; 2012 Jun; 136(21):214105. PubMed ID: 22697528
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Breit interaction contribution to parity violating potentials in chiral molecules containing light nuclei.
    Berger R
    J Chem Phys; 2008 Oct; 129(15):154105. PubMed ID: 19045174
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Multiconfiguration Dirac-Hartree-Fock adjusted energy-consistent pseudopotential for uranium: spin-orbit configuration interaction and Fock-space coupled-cluster study of U4+ and U5+.
    Weigand A; Cao X; Vallet V; Flament JP; Dolg M
    J Phys Chem A; 2009 Oct; 113(43):11509-16. PubMed ID: 19601603
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Cholesky Decomposition in Spin-Free Dirac-Coulomb Coupled-Cluster Calculations.
    Uhlířová T; Cianchino D; Nottoli T; Lipparini F; Gauss J
    J Phys Chem A; 2024 Sep; 128(38):8292-8303. PubMed ID: 39268870
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd.
    Peterson KA; Figgen D; Dolg M; Stoll H
    J Chem Phys; 2007 Mar; 126(12):124101. PubMed ID: 17411102
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Analytic evaluation of first-order properties within the mean-field variant of spin-free exact two-component theory.
    Kirsch T; Engel F; Gauss J
    J Chem Phys; 2019 May; 150(20):204115. PubMed ID: 31153222
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.