Sandia National Laboratories
Andrew G. Taube
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Publications

  1. [LinCC1] "Rethinking linearized coupled-cluster theory." AGT and Rodney J. Bartlett.
    J. Chem. Phys. 130 144112 (2009).
  2. [FNO2] "Frozen natural orbital coupled-cluster theory: Forces and application to decomposition of nitroethane." AGT and Rodney J. Bartlett.
    J. Chem. Phys. 128 164101 (2008).
  3. [LamCC2] "Improving upon CCSD(T): ΛCCSD(T). II. Stationary formulation and derivatives." AGT and Rodney J. Bartlett.
    J. Chem. Phys. 128 044110 (2008).
  4. [LamCC1] "Improving upon CCSD(T): ΛCCSD(T). I. Potential energy surfaces." AGT and Rodney J. Bartlett.
    J. Chem. Phys. 128 044111 (2008).
  5. "New perspectives on unitary coupled-cluster theory." AGT and Rodney J. Bartlett.
    Int. J. Quantum Chem. 16 3393 (2006).
  6. [FNO1] "Frozen Natural Orbitals: Systematic Basis Set Truncation for Coupled-Cluster Theory." AGT and Rodney J. Bartlett.
    Coll. Czech. Chem. Commun. 70 837 (1005).
  7. "An application system for automation of constant-time radio frequency electron paramagnetic resonance imaging." AGT, Sankaran Subramanian, Ramachandran Murugesan, Nallathamby Devasahayam, James B. Mitchell, Murali C. Krishna, John A. Cook.
    Comput. Methods Programs Biomed. 72 127 (2003).
  8. "Single-point (constant-time) imaging in radiofrequency Fourier transform electron paramagnetic resonance." Sankaran Subramanian, Nallathamby Devasahayam, Ramachandran Murugesan, Kenichi Yamada, John Cook, AGT, James B. Mitchell, Joost A. B. Lohman, Murali C. Krishna.
    Magn. Reson. Med. 48 370 (2002).
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email: Phone: (505) 845-7897
Fax: (505) 845-7442
mailing address:
P.O. Box 5800
MS-1322
Albuquerque, NM 87185


Related Links
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Sandia Multiscale Modeling

Sandia CSRI