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 *

143 related articles for article (PubMed ID: 29166052)

  • 1. A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves.
    Giner E; Angeli C; Garniron Y; Scemama A; Malrieu JP
    J Chem Phys; 2017 Jun; 146(22):224108. PubMed ID: 29166052
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster.
    Garniron Y; Giner E; Malrieu JP; Scemama A
    J Chem Phys; 2017 Apr; 146(15):154107. PubMed ID: 28433007
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Reaching Full Correlation through Nonorthogonal Configuration Interaction: A Second-Order Perturbative Approach.
    Burton HGA; Thom AJW
    J Chem Theory Comput; 2020 Sep; 16(9):5586-5600. PubMed ID: 32786910
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Comparison of fully internally and strongly contracted multireference configuration interaction procedures.
    Sivalingam K; Krupicka M; Auer AA; Neese F
    J Chem Phys; 2016 Aug; 145(5):054104. PubMed ID: 27497536
    [TBL] [Abstract][Full Text] [Related]  

  • 5. An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applications.
    Datta D; Mukherjee D
    J Chem Phys; 2009 Jul; 131(4):044124. PubMed ID: 19655854
    [TBL] [Abstract][Full Text] [Related]  

  • 6. An orbital-invariant internally contracted multireference coupled cluster approach.
    Evangelista FA; Gauss J
    J Chem Phys; 2011 Mar; 134(11):114102. PubMed ID: 21428602
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Selected configuration interaction dressed by perturbation.
    Garniron Y; Scemama A; Giner E; Caffarel M; Loos PF
    J Chem Phys; 2018 Aug; 149(6):064103. PubMed ID: 30111155
    [TBL] [Abstract][Full Text] [Related]  

  • 8. From complete to selected model spaces in determinant-based multi-reference second-order perturbation treatments.
    Malrieu JP; Heully JL
    J Chem Phys; 2023 Jul; 159(3):. PubMed ID: 37470425
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A simplified ab initio treatment of diradicaloid structures produced from stretching and breaking chemical bonds.
    Sinha Ray S; Ghosh A; Shit A; Chaudhuri RK; Chattopadhyay S
    Phys Chem Chem Phys; 2017 Aug; 19(33):22282-22301. PubMed ID: 28805221
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Block correlated second order perturbation theory with a generalized valence bond reference function.
    Xu E; Li S
    J Chem Phys; 2013 Nov; 139(17):174111. PubMed ID: 24206291
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitations.
    Sinha D; Maitra R; Mukherjee D
    J Chem Phys; 2012 Sep; 137(9):094104. PubMed ID: 22957552
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Multireference calculations on the ground and lowest excited states and dissociation energy of LuF.
    Almeida NMS; Melin TRL; Wilson AK
    J Chem Phys; 2021 Jun; 154(24):244304. PubMed ID: 34241349
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Perturbation Expansion of Internally Contracted Coupled-Cluster Theory up to Third Order.
    Aoto YA; Bargholz A; Kats D; Werner HJ; Köhn A
    J Chem Theory Comput; 2019 Apr; 15(4):2291-2305. PubMed ID: 30794385
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Taming the excited states of butadiene, hexatriene, and octatetraene using state specific multireference perturbation theory with density functional theory orbitals.
    Manna S; Chaudhuri RK; Chattopadhyay S
    J Chem Phys; 2020 Jun; 152(24):244105. PubMed ID: 32610953
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Communication: A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states.
    Sharma S; Chan GK
    J Chem Phys; 2014 Sep; 141(11):111101. PubMed ID: 25240335
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Single-Root Multireference Brillouin-Wigner Perturbative Approach to Excitation Energies.
    Chattopadhyay S
    ACS Omega; 2021 Jan; 6(2):1668-1686. PubMed ID: 33490826
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: theory and test calculations of second order approximation.
    Chen Z; Hoffmann MR
    J Chem Phys; 2012 Jul; 137(1):014108. PubMed ID: 22779638
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multireference space without first solving the configuration interaction problem.
    Glushkov VN; Assfeld X
    J Comput Chem; 2014 Feb; 35(4):313-23. PubMed ID: 24403018
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Determination of spin Hamiltonians from projected single reference configuration interaction calculations. I. Spin 1/2 systems.
    Monari A; Maynau D; Malrieu JP
    J Chem Phys; 2010 Jul; 133(4):044106. PubMed ID: 20687632
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
    Gagliardi L; Truhlar DG; Li Manni G; Carlson RK; Hoyer CE; Bao JL
    Acc Chem Res; 2017 Jan; 50(1):66-73. PubMed ID: 28001359
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.