Gary Trucks

Gary Trucks

Email: trucks@gaussian.com

Vice President, Gaussian, Inc.
 Ph.D., University of Florida
Post-Doctoral Member of Technical Staff, AT&T Bell Laboratories

Contributions to Gaussian:
• Efficient algorithms for Post-SCF methods
• Post-SCF derivatives including gradients for MP4SDQ, QCISD,
   and CCSD and 2nd derivatives for CIS and MP2.
• 2-electron Integral methods
• Coulomb Engine for pure Density Functional methods
• Pruned Grids for Density Functional Theory
as

Research Interests

  • Derivitatives of Post-SCF Methods
  • Efficient Integral Evaluation
  • Ground and Excited State Properties
  • Reactivity of Semiconductor Surfaces

Selected Publications

Bent, GD, Zerrad, E, Trucks, GW, Wiberg, KB, Taing, L "Vibrational Analysis of the Ground States of Trifluoroacetyl Fluoride and Trifluoroacetyl Chloride" Physical Chemical A 104 (2000) 370-379.

Salter, EA, Trucks, GW, Cyphert, DS "Two charged particles in 1-dimensional well" accepted, Americal Journal of Physics(2000)

Wiberg, KB, Elcana, A, Trucks, GW "A comparison of the electronic transition energies for ethene, isobutene, formaldehyde and nicotine calculated using RPA, TADFT and EOM. Effect of basis sets" submitted, Journal of Physical Chemistry (2001)

 

Last update: 13 January 2010