Mike Schmidt

mike@si.msg.chem.iastate.edu

Home page for the SF Giants, including today's score. Go Giants, Beat LA!

Timeline

B.A., in Chemistry, Saint Mary of the Plains College, Dodge City, Kansas, 1975
Ph.D., in Physical Chemistry, Iowa State University, 1982, with Prof. Klaus Ruedenberg
Postdoc with Mark Gordon at NDSU, 1982-1985
Research Associate, North Dakota State University, Fargo, 1985-1992
Associate Scientist, Ames Laboratory at Iowa State University, 1992-present
Visiting Professor, Tokyo Toritsu Daigaku, April 2000-March 2001 (now Tokyo Shuto Daigaku)
Visiting Professor, Ochanomizu Joshi Daigaku, September-November 2007

Representative Publications (of 76 refereed papers)

• "Electronic structure analysis of the ground state potential energy curve of Be2"
  M.W. Schmidt, K.Ruedenberg and J.Ivanic
  J.Phys.Chem.A 114, 8687-8696(2010)
  
• "On the ordering of orbital energies in high-spin ROHF"
  K.R.Glaesemann, M.W.Schmidt
  J.Phys.Chem.A 114, 8772-8777(2010)
  
• "Physical understanding through variational reasoning: Electron sharing and covalent bonding"
  K.Ruedenberg, M.W.Schmidt
  J.Phys.Chem.A 113, 1954-1968(2009)
  
• "Why does electron sharing lead to covalent bonding? A variational analysis"
  K.Ruedenberg, M.W.Schmidt
  J.Comput.Chem., 28, 391-410(2007)
  
• "A novel approach to parallel coupled cluster calculations: Combining distributed and shared memory techniques for modern cluster based systems"
  R.M.Olson, J.L.Bentz, R.A.Kendall, M.W.Schmidt, M.S.Gordon
  J.Chem.Theory Comput. 3, 1312-1328(2007)
  
• "Reactivity of 1-hydro-5-carbaphosphatrane based on the tautomerization between pentavalent phosphorane and trivalent cyclic phosphonite."
  J.Kobayashi, K.Goto, T.Kawashima, M.W.Schmidt, S.Nagase
  Chem.Eur.J., 12, 3811-3820 (2006)
  
• "Parallel coupled perturbed CASSCF equations and analytic CASSCF second derivatives"
  T.J.Dudley, M.W.Schmidt, R.M.Olson, M.S.Gordon
  J.Comput.Chem. 27, 352-362(2006)
  
• "Triazolium-based Energetic Ionic Liquids"
  M.W.Schmidt, J.A.Boatz, M.S.Gordon
  J.Chem.Phys.A 109, 7285-7295(2005)
  
• "Molecule intrinsic minimal basis sets"
  W.C.Lu, C.Z.Wang, M.W.Schmidt, L.Bytautas, K.M.Ho, K.Ruedenberg
  J.Chem.Phys. 120, 2629-2637 and 2638-2651(2004)
  
• "Spin-orbit coupling in molecules: chemistry beyond the adiabatic approximation"
  D.G.Fedorov, S.Koseki, M.W.Schmidt, M.S.Gordon
  Int.Rev.Phys.Chem. 22, 551-592(2003)
  
• "Synthesis, Structure, and Bonding Properties of 5-carbaphosphatranes: a new class of main group atrane"
  J.Kobayashi, K.Goto, T.Kawashima, M.W.Schmidt, S.Nagase
  J.Am.Chem.Soc. 124, 3703-3712(2002)
  More details about this paper.
  
• "Parallelization of Multireference Perturbation Calculations with GAMESS"
  H.Umeda, S.Koseki, U.Nagashima, M.W.Schmidt
  J. Comput. Chem. 22, 1243-1251(2001)
  
• "Ga-Ga Multiple Bonding in Na2[Ar*GaGaAr*]"
  N.Takagi, M.W.Schmidt, S.Nagase
  Organometallics 20, 1646-1651(2001)
  
• "The Distributed Data Interface in GAMESS"
  G.D.Fletcher, M.W.Schmidt, B.M.Bode, M.S.Gordon
  Comput.Phys.Commun. 128, 190-200(2000)
  
• "Cubic Fuels?"
  M.W.Schmidt, M.S.Gordon, J.A.Boatz
  Int.J.Quantum Chem. 76, 434-446(2000)
  
• "The Construction and Interpretation of MCSCF wavefunctions"
  M.W.Schmidt, M.S.Gordon
  Annu.Rev.Phys.Chem. 49, 233-266(1998)
  
• "Approximate second order method for orbital optimization of SCF and MCSCF wavefunctions"
  G. Chaban, M.W.Schmidt, M.S.Gordon
  Theoret.Chem.Acc. 97, 88-95(1997)
  
• "Structural Trends in Silicon Atranes"
  M.W.Schmidt, T.L.Windus, M.S.Gordon
  J.Am.Chem.Soc. 117, 7480-7486(1995)
  
• "Parallel Algorithm for Integral Transformations and GUGA MCSCF"
  T.L.Windus, M.W.Schmidt, M.S.Gordon
  Theoret.Chim.Acta 89, 77-88(1994)
  
• "Does Methane Invert through Square Planar?"
  M.S.Gordon, M.W.Schmidt
  J.Am.Chem.Soc. 115, 7486-7492(1993)
  
• "General Atomic and Molecular Electronic Structure System"
  M.W.Schmidt, K.K.Baldridge, J.A.Boatz, S.T.Elbert, M.S.Gordon, J.H.Jensen, S.Koseki, N.Matsunaga, K.A.Nguyen, S.Su, T.L.Windus, M.Dupuis, J.A.Montgomery
  J.Comput.Chem. 14, 1347-1363(1993)
  
• "Pi Bond Strengths in the Second and Third Periods"
  M.W.Schmidt, P.N.Truong, M.S.Gordon
  J.Am.Chem.Soc. 109, 5217-5227(1987)
  
• "The Intrinsic Reaction Coordinate, and the Rotational barrier in Silaethene"
  M.W.Schmidt, M.S.Gordon, M.Dupuis
  J.Am.Chem.Soc. 107, 2585-2589(1985)
  
• "Electronic Structure of the Phosphoryl and Thiophosphoryl Bonds"
  M.W.Schmidt, M.S.Gordon
  J.Am.Chem.Soc. 107, 1922-1930(1985)
  
• "Are Atoms Intrinsic to Molecular Electronic Wavefunctions: The FORS model"
  K.Ruedenberg, M.W.Schmidt, M.M.Gilbert, S.T.Elbert
  Chem. Phys. 71, 41-49 and 51-64 and 65-78(1982)
  
• "Concerted Dihydrogen Exchange between Ethane and Ethylene"
  D.F.Feller, M.W.Schmidt, K.Ruedenberg
  J.Am.Chem.Soc. 104, 960-967(1982)
  
• "Effective Convergence to Complete Orbital Bases and to the atomic Hartree-Fock limit through Systematic Sequences of Gaussian Primitives"
  M.W.Schmidt, K.Ruedenberg
  J.Chem.Phys. 71, 3951-3962(1979)
  

In the back garden of Erin-ji, a temple located in Enzan, which is the sister city of Ames, August 2000. (Enzan, Katsunuma, and Yamamoto merged into Koushuu in 2005)