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 *

154 related articles for article (PubMed ID: 30111155)

  • 41. Correlation effects beyond coupled cluster singles and doubles approximation through Fock matrix dressing.
    Maitra R; Nakajima T
    J Chem Phys; 2017 Nov; 147(20):204108. PubMed ID: 29195294
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Molecular Applications of a Size-Consistent State-Specific Multireference Perturbation Theory with Relaxed Model-Space Coefficients.
    Sinha Mahapatra U; Datta B; Mukherjee D
    J Phys Chem A; 1999 Mar; 103(12):1822-30. PubMed ID: 27384147
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Effects of the first hydration sphere and the bulk solvent on the spectra of the f(2) isoelectronic actinide compounds: U(4+), NpO(2)(+), and PuO(2)(2+).
    Danilo C; Vallet V; Flament JP; Wahlgren U
    Phys Chem Chem Phys; 2010 Feb; 12(5):1116-30. PubMed ID: 20094676
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Fitting coupled potential energy surfaces for large systems: method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of freedom using multireference configuration interaction determined data.
    Zhu X; Yarkony DR
    J Chem Phys; 2014 Jan; 140(2):024112. PubMed ID: 24437870
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation.
    Stair NH; Evangelista FA
    J Chem Phys; 2020 Sep; 153(10):104108. PubMed ID: 32933298
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization.
    Saitow M; Kurashige Y; Yanai T
    J Chem Theory Comput; 2015 Nov; 11(11):5120-31. PubMed ID: 26574310
    [TBL] [Abstract][Full Text] [Related]  

  • 47. 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]  

  • 48. Reinforcement Learning Configuration Interaction.
    Goings JJ; Hu H; Yang C; Li X
    J Chem Theory Comput; 2021 Sep; 17(9):5482-5491. PubMed ID: 34423637
    [TBL] [Abstract][Full Text] [Related]  

  • 49. A truncated Davidson method for the efficient "chemically accurate" calculation of full configuration interaction wavefunctions without any large matrix diagonalization.
    Cotton SJ
    J Chem Phys; 2022 Dec; 157(22):224105. PubMed ID: 36546794
    [TBL] [Abstract][Full Text] [Related]  

  • 50. A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks.
    Loos PF; Scemama A; Blondel A; Garniron Y; Caffarel M; Jacquemin D
    J Chem Theory Comput; 2018 Aug; 14(8):4360-4379. PubMed ID: 29966098
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory.
    Banik S; Ravichandran L; Brabec J; Hubač I; Kowalski K; Pittner J
    J Chem Phys; 2015 Mar; 142(11):114106. PubMed ID: 25796230
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Vibrational quasi-degenerate perturbation theory with optimized coordinates: applications to ethylene and trans-1,3-butadiene.
    Yagi K; Otaki H
    J Chem Phys; 2014 Feb; 140(8):084113. PubMed ID: 24588154
    [TBL] [Abstract][Full Text] [Related]  

  • 53. A convenient decontraction procedure of internally contracted state-specific multireference algorithms.
    Angeli C; Calzado CJ; Cimiraglia R; Malrieu JP
    J Chem Phys; 2006 Jun; 124(23):234109. PubMed ID: 16821909
    [TBL] [Abstract][Full Text] [Related]  

  • 54. An efficient implementation of the NEVPT2 and CASPT2 methods avoiding higher-order density matrices.
    Kollmar C; Sivalingam K; Guo Y; Neese F
    J Chem Phys; 2021 Dec; 155(23):234104. PubMed ID: 34937355
    [TBL] [Abstract][Full Text] [Related]  

  • 55. A full-configuration interaction "nuclear orbital" method to study doped 3HeN clusters (N< or =4).
    de Lara-Castells MP; Delgado-Barrio G; Villarreal P; Mitrushchenkov AO
    J Chem Phys; 2006 Dec; 125(22):221101. PubMed ID: 17176126
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Investigation of low-lying states of oxygen molecule via second-order multireference perturbation theory: a state-specific approach.
    Chattopadhyay S; Mahapatra US; Chaudhuri RK
    J Phys Chem A; 2009 May; 113(20):5972-84. PubMed ID: 19400574
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Spin Density Distribution in Open-Shell Transition Metal Systems: A Comparative Post-Hartree-Fock, Density Functional Theory, and Quantum Monte Carlo Study of the CuCl2 Molecule.
    Caffarel M; Giner E; Scemama A; Ramírez-Solís A
    J Chem Theory Comput; 2014 Dec; 10(12):5286-96. PubMed ID: 26583212
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction.
    Casanova D; Rhee YM; Head-Gordon M
    J Chem Phys; 2008 Apr; 128(16):164106. PubMed ID: 18447420
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Pyrazine excited states revisited using the extended multi-state complete active space second-order perturbation method.
    Shiozaki T; Woywod C; Werner HJ
    Phys Chem Chem Phys; 2013 Jan; 15(1):262-9. PubMed ID: 23160235
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Fast semistochastic heat-bath configuration interaction.
    Li J; Otten M; Holmes AA; Sharma S; Umrigar CJ
    J Chem Phys; 2018 Dec; 149(21):214110. PubMed ID: 30525735
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.