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 *

192 related articles for article (PubMed ID: 30902012)

  • 1. Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations.
    Deustua JE; Yuwono SH; Shen J; Piecuch P
    J Chem Phys; 2019 Mar; 150(11):111101. PubMed ID: 30902012
    [TBL] [Abstract][Full Text] [Related]  

  • 2. High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons.
    Deustua JE; Shen J; Piecuch P
    J Chem Phys; 2021 Mar; 154(12):124103. PubMed ID: 33810702
    [TBL] [Abstract][Full Text] [Related]  

  • 3. High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction.
    Gururangan K; Deustua JE; Shen J; Piecuch P
    J Chem Phys; 2021 Nov; 155(17):174114. PubMed ID: 34742204
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Benchmarking the semi-stochastic CC(P;Q) approach for singlet-triplet gaps in biradicals.
    Chakraborty A; Yuwono SH; Deustua JE; Shen J; Piecuch P
    J Chem Phys; 2022 Oct; 157(13):134101. PubMed ID: 36209016
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Improving upon the accuracy for doubly excited states within the coupled cluster singles and doubles theory.
    Kuś T; Bartlett RJ
    J Chem Phys; 2009 Sep; 131(12):124310. PubMed ID: 19791884
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?
    Rishi V; Perera A; Nooijen M; Bartlett RJ
    J Chem Phys; 2017 Apr; 146(14):144104. PubMed ID: 28411589
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions.
    Deustua JE; Shen J; Piecuch P
    Phys Rev Lett; 2017 Dec; 119(22):223003. PubMed ID: 29286766
    [TBL] [Abstract][Full Text] [Related]  

  • 8. New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states.
    Kowalski K; Piecuch P
    J Chem Phys; 2004 Jan; 120(4):1715-38. PubMed ID: 15268302
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A new approach to approximate equation-of-motion coupled cluster with triple excitations.
    Matthews DA; Stanton JF
    J Chem Phys; 2016 Sep; 145(12):124102. PubMed ID: 27782677
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions.
    Deustua JE; Magoulas I; Shen J; Piecuch P
    J Chem Phys; 2018 Oct; 149(15):151101. PubMed ID: 30342451
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Targeting Doubly Excited States with Equation of Motion Coupled Cluster Theory Restricted to Double Excitations.
    Boguslawski K
    J Chem Theory Comput; 2019 Jan; 15(1):18-24. PubMed ID: 30525613
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt.
    Gour JR; Piecuch P; Włoch M
    J Chem Phys; 2005 Oct; 123(13):134113. PubMed ID: 16223281
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Nested variant of the method of moments of coupled cluster equations for vertical excitation energies and excited-state potential energy surfaces.
    Kowalski K
    J Chem Phys; 2009 May; 130(19):194110. PubMed ID: 19466824
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states.
    Lee J; Small DW; Head-Gordon M
    J Chem Phys; 2019 Dec; 151(21):214103. PubMed ID: 31822103
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride.
    Pavošević F; Hammes-Schiffer S
    J Chem Phys; 2019 Apr; 150(16):161102. PubMed ID: 31042898
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.
    Shen J; Piecuch P
    J Chem Phys; 2012 Apr; 136(14):144104. PubMed ID: 22502498
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited states.
    Villaume S; Daniel C; Strich A; Perera SA; Bartlett RJ
    J Chem Phys; 2005 Jan; 122(4):44313. PubMed ID: 15740254
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Second- and third-order triples and quadruples corrections to coupled-cluster singles and doubles in the ground and excited states.
    Shiozaki T; Hirao K; Hirata S
    J Chem Phys; 2007 Jun; 126(24):244106. PubMed ID: 17614536
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Assessing the distinguishable cluster approximation based on the triple bond-breaking in the nitrogen molecule.
    Rishi V; Perera A; Bartlett RJ
    J Chem Phys; 2016 Mar; 144(12):124117. PubMed ID: 27036437
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 10.