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Neuscamman, Eric

TitleChemist Faculty Sci/Engr
InstitutionLawrence Berkeley National Lab
DepartmentChemical Sciences
Address1 Cyclotron Road
Berkeley CA 94720
Phone510/664-7827
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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. Kim J, Baczewski AT, Beaudet TD, Benali A, Bennett MC, Berrill MA, Blunt NS, Borda EJL, Casula M, Ceperley DM, Chiesa S, Clark BK, Clay RC, Delaney KT, Dewing M, Esler KP, Hao H, Heinonen O, Kent PRC, Krogel JT, Kylänpää I, Li YW, Lopez MG, Luo Y, Malone FD, Martin RM, Mathuriya A, McMinis J, Melton CA, Mitas L, Morales MA, Neuscamman E, Parker WD, Pineda Flores SD, Romero NA, Rubenstein BM, Shea JAR, Shin H, Shulenburger L, Tillack AF, Townsend JP, Tubman NM, Van Der Goetz B, Vincent JE, Yang DC, Yang Y, Zhang S, Zhao L. QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids. J Phys Condens Matter. 2018 May 16; 30(19):195901. PMID: 29582782.
      View in: PubMed
    2. 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
    3. 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
    4. 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
    5. 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
    6. Goetz BV, Neuscamman E. Suppressing Ionic Terms with Number-Counting Jastrow Factors in Real Space. J Chem Theory Comput. 2017 May 09; 13(5):2035-2042. PMID: 28384404.
      View in: PubMed
    7. 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
    8. Neuscamman E. Communication: Variation after response in quantum Monte Carlo. J Chem Phys. 2016 Aug 28; 145(8):081103. PMID: 27586897.
      View in: PubMed
    9. 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
    10. 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
    11. 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
    12. 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
    13. 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
    14. 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.
      View in: PubMed
    15. 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
    16. 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
    17. 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
    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. 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
    20. 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
    21. 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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