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    Lacivita, Valentina

    TitleMaterials Postdoc Fellow
    SchoolLawrence Berkeley National Lab
    DepartmentMaterials Sciences
    Address1 Cyclotron Road
    Berkeley CA 94720
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      Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help.
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      1. Erba A, Navarrete-López AM, Lacivita V, D'Arco P, Zicovich-Wilson CM. Katoite under pressure: an ab initio investigation of its structural, elastic and vibrational properties sheds light on the phase transition. Phys Chem Chem Phys. 2015 Jan 28; 17(4):2660-9. PMID: 25502836.
        View in: PubMed
      2. Lacivita V, Erba A, Dovesi R, D'Arco P. Elasticity of grossular-andradite solid solution: an ab initio investigation. Phys Chem Chem Phys. 2014 Aug 07; 16(29):15331-8. PMID: 24942565.
        View in: PubMed
      3. Lacivita V, Erba A, Noël Y, Orlando R, D'Arco P, Dovesi R. Zinc oxide nanotubes: an ab initio investigation of their structural, vibrational, elastic, and dielectric properties. J Chem Phys. 2013 Jun 07; 138(21):214706. PMID: 23758394.
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      4. Lacivita V, Rérat M, Kirtman B, Orlando R, Ferrabone M, Dovesi R. Static and dynamic coupled perturbed Hartree-Fock vibrational (hyper)polarizabilities of polyacetylene calculated by the finite field nuclear relaxation method. J Chem Phys. 2012 Jul 07; 137(1):014103. PMID: 22779633.
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      5. Lacivita V, Rèrat M, Orlando R, Ferrero M, Dovesi R. Calculation of longitudinal polarizability and second hyperpolarizability of polyacetylene with the coupled perturbed Hartree-Fock/Kohn-Sham scheme: where it is shown how finite oligomer chains tend to the infinite periodic polymer. J Chem Phys. 2012 Mar 21; 136(11):114101. PMID: 22443743.
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      6. Kirtman B, Lacivita V, Dovesi R, Reis H. Electric field polarization in conventional density functional theory: from quasilinear to two-dimensional and three-dimensional extended systems. J Chem Phys. 2011 Oct 21; 135(15):154101. PMID: 22029291.
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      7. Orlando R, Lacivita V, Bast R, Ruud K. Calculation of the first static hyperpolarizability tensor of three-dimensional periodic compounds with a local basis set: A comparison of LDA, PBE, PBE0, B3LYP, and HF results. J Chem Phys. 2010 Jun 28; 132(24):244106. PMID: 20590180.
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      8. Lacivita V, Rérat M, Kirtman B, Ferrero M, Orlando R, Dovesi R. Calculation of the dielectric constant epsilon and first nonlinear susceptibility chi((2)) of crystalline potassium dihydrogen phosphate by the coupled perturbed Hartree-Fock and coupled perturbed Kohn-Sham schemes as implemented in the CRYSTAL code. J Chem Phys. 2009 Nov 28; 131(20):204509. PMID: 19947696.
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