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    Neuscamman, Eric

    TitleChemist Faculty Sci/Engr
    SchoolLawrence Berkeley National Lab
    DepartmentChemical Sciences
    Address1 Cyclotron Road
    Berkeley CA 94720
    Phone510/664-7827
    vCardDownload vCard

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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. Shea JAR, Neuscamman E. Size Consistent Excited States via Algorithmic Transformations between Variational Principles. J Chem Theory Comput. 2017 Dec 12; 13(12):6078-6088. PMID: 29140699.
        View in: PubMed
      2. Blunt NS, Neuscamman E. Charge-transfer excited states: Seeking a balanced and efficient wave function ansatz in variational Monte Carlo. J Chem Phys. 2017 Nov 21; 147(19):194101. PMID: 29166112.
        View in: PubMed
      3. Robinson PJ, Pineda Flores SD, Neuscamman E. Excitation variance matching with limited configuration interaction expansions in variational Monte Carlo. J Chem Phys. 2017 Oct 28; 147(16):164114. PMID: 29096451.
        View in: PubMed
      4. Zhao L, Neuscamman E. A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo. J Chem Theory Comput. 2017 Jun 13; 13(6):2604-2611. PMID: 28514597.
        View in: PubMed
      5. Goetz BV, Neuscamman E. Suppressing ionic terms with number counting Jastrow factors in real space. J Chem Theory Comput. 2017 Apr 06. PMID: 28384404.
        View in: PubMed
      6. Zhao L, Neuscamman E. Amplitude Determinant Coupled Cluster with Pairwise Doubles. J Chem Theory Comput. 2016 Dec 13; 12(12):5841-5850. PMID: 27951670.
        View in: PubMed
      7. Neuscamman E. Communication: Variation after response in quantum Monte Carlo. J Chem Phys. 2016 Aug 28; 145(8):081103. PMID: 27586897.
        View in: PubMed
      8. Zhao L, Neuscamman E. Equation of Motion Theory for Excited States in Variational Monte Carlo and the Jastrow Antisymmetric Geminal Power in Hilbert Space. J Chem Theory Comput. 2016 Aug 09; 12(8):3719-26. PMID: 27398808.
        View in: PubMed
      9. Zhao L, Neuscamman E. An Efficient Variational Principle for the Direct Optimization of Excited States. J Chem Theory Comput. 2016 Aug 09; 12(8):3436-40. PMID: 27379468.
        View in: PubMed
      10. Neuscamman E. Improved Optimization for the Cluster Jastrow Antisymmetric Geminal Power and Tests on Triple-Bond Dissociations. J Chem Theory Comput. 2016 Jul 12; 12(7):3149-59. PMID: 27281678.
        View in: PubMed
      11. Neuscamman E. The Jastrow antisymmetric geminal power in Hilbert space: theory, benchmarking, and application to a novel transition state. J Chem Phys. 2013 Nov 21; 139(19):194105. PMID: 24320314.
        View in: PubMed
      12. Neuscamman E. Communication: a Jastrow factor coupled cluster theory for weak and strong electron correlation. J Chem Phys. 2013 Nov 14; 139(18):181101. PMID: 24320245.
        View in: PubMed
      13. Clark BK, Kinder JM, Neuscamman E, Chan GK, Lawler MJ. Striped spin liquid crystal ground state instability of kagome antiferromagnets. Phys Rev Lett. 2013 Nov 01; 111(18):187205. PMID: 24237558.
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      14. Neuscamman E. Size consistency error in the antisymmetric geminal power wave function can be completely removed. Phys Rev Lett. 2012 Nov 16; 109(20):203001. PMID: 23215480.
        View in: PubMed
      15. Yanai T, Kurashige Y, Neuscamman E, Chan GK. Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition. Phys Chem Chem Phys. 2012 Jun 07; 14(21):7809-20. PMID: 22576009.
        View in: PubMed
      16. Parks JJ, Champagne AR, Costi TA, Shum WW, Pasupathy AN, Neuscamman E, Flores-Torres S, Cornaglia PS, Aligia AA, Balseiro CA, Chan GK, Abruña HD, Ralph DC. Mechanical control of spin states in spin-1 molecules and the underscreened Kondo effect. Science. 2010 Jun 11; 328(5984):1370-3. PMID: 20538943.
        View in: PubMed
      17. Neuscamman E, Yanai T, Chan GK. Strongly contracted canonical transformation theory. J Chem Phys. 2010 Jan 14; 132(2):024106. PMID: 20095662.
        View in: PubMed
      18. Yanai T, Kurashige Y, Neuscamman E, Chan GK. Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory. J Chem Phys. 2010 Jan 14; 132(2):024105. PMID: 20095661.
        View in: PubMed
      19. Zgid D, Ghosh D, Neuscamman E, Chan GK. A study of cumulant approximations to n-electron valence multireference perturbation theory. J Chem Phys. 2009 May 21; 130(19):194107. PMID: 19466821.
        View in: PubMed
      20. Neuscamman E, Yanai T, Chan GK. Quadratic canonical transformation theory and higher order density matrices. J Chem Phys. 2009 Mar 28; 130(12):124102. PMID: 19334803.
        View in: PubMed
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