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 *

253 related articles for article (PubMed ID: 22149778)

  • 1. Local pair natural orbitals for excited states.
    Helmich B; Hättig C
    J Chem Phys; 2011 Dec; 135(21):214106. PubMed ID: 22149778
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A pair natural orbital implementation of the coupled cluster model CC2 for excitation energies.
    Helmich B; Hättig C
    J Chem Phys; 2013 Aug; 139(8):084114. PubMed ID: 24006981
    [TBL] [Abstract][Full Text] [Related]  

  • 3. An efficient and near linear scaling pair natural orbital based local coupled cluster method.
    Riplinger C; Neese F
    J Chem Phys; 2013 Jan; 138(3):034106. PubMed ID: 23343267
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A pair natural orbital based implementation of CCSD excitation energies within the framework of linear response theory.
    Frank MS; Hättig C
    J Chem Phys; 2018 Apr; 148(13):134102. PubMed ID: 29626892
    [TBL] [Abstract][Full Text] [Related]  

  • 5. State-Averaged Pair Natural Orbitals for Excited States: A Route toward Efficient Equation of Motion Coupled-Cluster.
    Peng C; Clement MC; Valeev EF
    J Chem Theory Comput; 2018 Nov; 14(11):5597-5607. PubMed ID: 30252467
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD).
    Schwilk M; Ma Q; Köppl C; Werner HJ
    J Chem Theory Comput; 2017 Aug; 13(8):3650-3675. PubMed ID: 28661673
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Optimized Pair Natural Orbitals for the Coupled Cluster Methods.
    Clement MC; Zhang J; Lewis CA; Yang C; Valeev EF
    J Chem Theory Comput; 2018 Sep; 14(9):4581-4589. PubMed ID: 30068085
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Local explicitly correlated second- and third-order Møller-Plesset perturbation theory with pair natural orbitals.
    Hättig C; Tew DP; Helmich B
    J Chem Phys; 2012 May; 136(20):204105. PubMed ID: 22667538
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Natural triple excitations in local coupled cluster calculations with pair natural orbitals.
    Riplinger C; Sandhoefer B; Hansen A; Neese F
    J Chem Phys; 2013 Oct; 139(13):134101. PubMed ID: 24116546
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Implementation of the iterative triples model CC3 for excitation energies using pair natural orbitals and Laplace transformation techniques.
    Frank MS; Schmitz G; Hättig C
    J Chem Phys; 2020 Jul; 153(3):034109. PubMed ID: 32716174
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2).
    Menezes F; Kats D; Werner HJ
    J Chem Phys; 2016 Sep; 145(12):124115. PubMed ID: 27782683
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Comparison of explicitly correlated local coupled-cluster methods with various choices of virtual orbitals.
    Krause C; Werner HJ
    Phys Chem Chem Phys; 2012 Jun; 14(21):7591-604. PubMed ID: 22491497
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. A Comparison of Three Approaches to the Reduced-Scaling Coupled Cluster Treatment of Non-Resonant Molecular Response Properties.
    McAlexander HR; Crawford TD
    J Chem Theory Comput; 2016 Jan; 12(1):209-22. PubMed ID: 26626230
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Coupled-cluster with active space selected higher amplitudes: performance of seminatural orbitals for ground and excited state calculations.
    Köhn A; Olsen J
    J Chem Phys; 2006 Nov; 125(17):174110. PubMed ID: 17100432
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Response calculations based on an independent particle system with the exact one-particle density matrix: excitation energies.
    Giesbertz KJ; Gritsenko OV; Baerends EJ
    J Chem Phys; 2012 Mar; 136(9):094104. PubMed ID: 22401426
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Linear scaling local correlation approach for solving the coupled cluster equations of large systems.
    Li S; Ma J; Jiang Y
    J Comput Chem; 2002 Jan; 23(2):237-44. PubMed ID: 11924736
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Electronic optical response of molecules in intense fields: comparison of TD-HF, TD-CIS, and TD-CIS(D) approaches.
    Schlegel HB; Smith SM; Li X
    J Chem Phys; 2007 Jun; 126(24):244110. PubMed ID: 17614540
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An incremental correlation approach to excited state energies based on natural transition/localized orbitals.
    Mata RA; Stoll H
    J Chem Phys; 2011 Jan; 134(3):034122. PubMed ID: 21261345
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Extrapolation to the Limit of a Complete Pair Natural Orbital Space in Local Coupled-Cluster Calculations.
    Altun A; Neese F; Bistoni G
    J Chem Theory Comput; 2020 Oct; 16(10):6142-6149. PubMed ID: 32897712
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.