An efficient parallel algorithm for the calculation of canonical MP2 energies
Parallel DFT gradients using the Fourier Transform Coulomb method
Isomerization of stilbene using enforced geometry optimization
The evaluation of molecular electron affinities
An algorithm for the location of transition states
An efficient parallel algorithm for the calculation of unrestricted canonical MP2 energies
Geometry optimization in cartesian coordinates: The end of the Z-matrix?
Techniques for geometry optimization: A comparison of cartesian and natural internal coordinates
Constrained optimization in cartesian coordinates
An algorithm for geometry optimization without analytical gradients
Quantum chemistry in parallel with PQS
EOM/Propagator ionization potentials: Extension of the excitation operator manifold
A density functional study of mono- and difluoropropenes
Ab initio quantum chemistry on PC-based parallel supercomputers
EOM/Propagator ionization potentials: Effect of an extended operator manifold on the predicted valence-shell ionization spectra of ethane, ethylene, and acetylene
Classical chemical concepts from ab initio SCF calculations
An ab initio molecular orbital study of the C3H+ potential energy surface
Jon W. Baker-Alliance Reference 061015
Resume - 20160311
Goals suck
