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 *

119 related articles for article (PubMed ID: 36456222)

  • 1. Influence of the N-representability conditions on the variational determination of two-electron reduced density matrices for ground and excited N-electron states in the doubly occupied configuration interaction space.
    Corvalan DA; Oña OB; Alcoba DR; Torre A; Lain L; Massaccesi GE
    J Chem Phys; 2022 Nov; 157(20):204103. PubMed ID: 36456222
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Variational determination of ground and excited-state two-electron reduced density matrices in the doubly occupied configuration space: A dispersion operator approach.
    Alcoba DR; Oña OB; Lain L; Torre A; Capuzzi P; Massaccesi GE; Ríos E; Rubio-García A; Dukelsky J
    J Chem Phys; 2021 Jun; 154(22):224104. PubMed ID: 34241224
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditions.
    Alcoba DR; Torre A; Lain L; Massaccesi GE; Oña OB; Honoré EM; Poelmans W; Van Neck D; Bultinck P; De Baerdemacker S
    J Chem Phys; 2018 Jan; 148(2):024105. PubMed ID: 29331147
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Variational reduced density matrix method in the doubly occupied configuration interaction space using three-particle
    Alcoba DR; Capuzzi P; Rubio-García A; Dukelsky J; Massaccesi GE; Oña OB; Torre A; Lain L
    J Chem Phys; 2018 Nov; 149(19):194105. PubMed ID: 30466273
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction framework: Treatments of triplet N-electron systems.
    Ríos E; Alcoba DR; Lain L; Torre A; Oña OB; Massaccesi GE
    J Chem Phys; 2022 Jul; 157(1):014102. PubMed ID: 35803816
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Variational reduced density matrix method in the doubly-occupied configuration interaction space using four-particle N-representability conditions: Application to the XXZ model of quantum magnetism.
    Rubio-García A; Dukelsky J; Alcoba DR; Capuzzi P; Oña OB; Ríos E; Torre A; Lain L
    J Chem Phys; 2019 Oct; 151(15):154104. PubMed ID: 31640387
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function.
    Poelmans W; Van Raemdonck M; Verstichel B; De Baerdemacker S; Torre A; Lain L; Massaccesi GE; Alcoba DR; Bultinck P; Van Neck D
    J Chem Theory Comput; 2015 Sep; 11(9):4064-76. PubMed ID: 26575902
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction scheme: An extension to the study of open-shell systems.
    Oña OB; Torre A; Lain L; Alcoba DR; Ríos E; Massaccesi GE
    J Chem Phys; 2020 Aug; 153(8):084101. PubMed ID: 32872851
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrix.
    Greenman L; Mazziotti DA
    J Chem Phys; 2008 Mar; 128(11):114109. PubMed ID: 18361556
    [TBL] [Abstract][Full Text] [Related]  

  • 10. First-order semidefinite programming for the direct determination of two-electron reduced density matrices with application to many-electron atoms and molecules.
    Mazziotti DA
    J Chem Phys; 2004 Dec; 121(22):10957-66. PubMed ID: 15634045
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models.
    Rubio-García A; Alcoba DR; Capuzzi P; Dukelsky J
    J Chem Theory Comput; 2018 Aug; 14(8):4183-4192. PubMed ID: 29906104
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Unrestricted treatment for the direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions.
    Alcoba DR; Torre A; Lain L; Massaccesi GE; Oña OB; Ríos E
    J Chem Phys; 2019 Apr; 150(16):164106. PubMed ID: 31042927
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Analytical gradients of variational reduced-density-matrix and wavefunction-based methods from an overlap-reweighted semidefinite program.
    Schlimgen AW; Mazziotti DA
    J Chem Phys; 2018 Oct; 149(16):164111. PubMed ID: 30384740
    [TBL] [Abstract][Full Text] [Related]  

  • 14. N-representability-driven reconstruction of the two-electron reduced-density matrix for a real-time time-dependent electronic structure method.
    Jeffcoat DB; DePrince AE
    J Chem Phys; 2014 Dec; 141(21):214104. PubMed ID: 25481126
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework.
    Alcoba DR; Lain L; Torre A; Ayala TR; Oña OB; Massaccesi GE; Peralta JE; Melo JI
    J Phys Chem A; 2024 Aug; 128(34):7277-7283. PubMed ID: 39140833
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem.
    Levy M
    Proc Natl Acad Sci U S A; 1979 Dec; 76(12):6062-5. PubMed ID: 16592733
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Variational calculation of second-order reduced density matrices by strong N-representability conditions and an accurate semidefinite programming solver.
    Nakata M; Braams BJ; Fujisawa K; Fukuda M; Percus JK; Yamashita M; Zhao Z
    J Chem Phys; 2008 Apr; 128(16):164113. PubMed ID: 18447427
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Molecular properties from variational reduced-density-matrix theory with three-particle N-representability conditions.
    Gidofalvi G; Mazziotti DA
    J Chem Phys; 2007 Jan; 126(2):024105. PubMed ID: 17228941
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator method.
    Garros A; Alcoba DR; Capuzzi P; Lain L; Torre A; Oña OB; Dukelsky J
    J Chem Phys; 2023 Sep; 159(12):. PubMed ID: 38127377
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The reduced density matrix method for electronic structure calculations and the role of three-index representability conditions.
    Zhao Z; Braams BJ; Fukuda M; Overton ML; Percus JK
    J Chem Phys; 2004 Feb; 120(5):2095-104. PubMed ID: 15268347
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.