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 *

124 related articles for article (PubMed ID: 28228040)

  • 1. Automatic active space selection for the similarity transformed equations of motion coupled cluster method.
    Dutta AK; Nooijen M; Neese F; Izsák R
    J Chem Phys; 2017 Feb; 146(7):074103. PubMed ID: 28228040
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies.
    Dutta AK; Nooijen M; Neese F; Izsák R
    J Chem Theory Comput; 2018 Jan; 14(1):72-91. PubMed ID: 29206453
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems.
    Huntington LMJ; Krupička M; Neese F; Izsák R
    J Chem Phys; 2017 Nov; 147(17):174104. PubMed ID: 29117690
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A Core-Valence Separated Similarity Transformed EOM-CCSD Method for Core-Excitation Spectra.
    Ranga S; Dutta AK
    J Chem Theory Comput; 2021 Dec; 17(12):7428-7446. PubMed ID: 34814683
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Similarity transformed coupled cluster response (ST-CCR) theory--a time-dependent similarity transformed equation-of-motion coupled cluster (STEOM-CC) approach.
    Landau A
    J Chem Phys; 2013 Jul; 139(1):014110. PubMed ID: 23822296
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A coupled cluster study of the electronic spectroscopy and photochemistry of Cr(CO)6.
    Villaume S; Strich A; Daniel C; Perera SA; Bartlett RJ
    Phys Chem Chem Phys; 2007 Dec; 9(46):6115-22. PubMed ID: 18167586
    [TBL] [Abstract][Full Text] [Related]  

  • 7. An efficient Fock space multi-reference coupled cluster method based on natural orbitals: Theory, implementation, and benchmark.
    Haldar S; Dutta AK
    J Chem Phys; 2021 Jul; 155(1):014105. PubMed ID: 34241374
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Similarity-transformed equation-of-motion vibrational coupled-cluster theory.
    Faucheaux JA; Nooijen M; Hirata S
    J Chem Phys; 2018 Feb; 148(5):054104. PubMed ID: 29421891
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A similarity transformed second-order approximate coupled cluster method for the excited states: Theory, implementation, and benchmark.
    Haldar S; Mukhopadhyay T; Dutta AK
    J Chem Phys; 2022 Jan; 156(1):014110. PubMed ID: 34998329
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Automatic Construction of the Initial Orbitals for Efficient Generalized Valence Bond Calculations of Large Systems.
    Wang Q; Zou J; Xu E; Pulay P; Li S
    J Chem Theory Comput; 2019 Jan; 15(1):141-153. PubMed ID: 30481019
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Explicitly correlated similarity transformed equation-of-motion coupled-cluster method.
    Bokhan D; Trubnikov DN; Bartlett RJ
    J Chem Phys; 2015 Aug; 143(7):074111. PubMed ID: 26298119
    [TBL] [Abstract][Full Text] [Related]  

  • 12. An extended multireference study of the electronic states of para-benzyne.
    Wang EB; Parish CA; Lischka H
    J Chem Phys; 2008 Jul; 129(4):044306. PubMed ID: 18681645
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Similarity-transformed equation-of-motion coupled-cluster singles and doubles method with spin-orbit effects for excited states.
    Bokhan D; Trubnikov DN; Perera A; Bartlett RJ
    J Chem Phys; 2019 Oct; 151(13):134110. PubMed ID: 31594332
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Photodissociation dynamics of the NO dimer. I. Theoretical overview of the ultraviolet singlet excited states.
    Levchenko SV; Reisler H; Krylov AI; Gessner O; Stolow A; Shi H; East AL
    J Chem Phys; 2006 Aug; 125(8):084301. PubMed ID: 16965006
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors.
    Fales BS; Shu Y; Levine BG; Hohenstein EG
    J Chem Phys; 2017 Sep; 147(9):094104. PubMed ID: 28886625
    [TBL] [Abstract][Full Text] [Related]  

  • 17. State specific equation of motion coupled cluster method in general active space.
    Kong L; Shamasundar KR; Demel O; Nooijen M
    J Chem Phys; 2009 Mar; 130(11):114101. PubMed ID: 19317525
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations.
    Goings JJ; Caricato M; Frisch MJ; Li X
    J Chem Phys; 2014 Oct; 141(16):164116. PubMed ID: 25362281
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A systematic approach to vertically excited states of ethylene using configuration interaction and coupled cluster techniques.
    Feller D; Peterson KA; Davidson ER
    J Chem Phys; 2014 Sep; 141(10):104302. PubMed ID: 25217911
    [TBL] [Abstract][Full Text] [Related]  

  • 20. UV excitations of halons.
    Stojanović L; Alyoubi AO; Aziz SG; Hilal RH; Barbatti M
    J Chem Phys; 2016 Nov; 145(18):184306. PubMed ID: 27846696
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.