Bastiaan J. Braams (Bas Braams)

Visiting associate professor in the department of mathematics and computer science, 2003-2006. Present coordinates:

Chemistry Department and
Cherry L. Emerson Center for Scientific Computing
Emory University

Mail Address Chemistry Department Emory University 1515 Dickey Drive Atlanta, Georgia 30322 Phones 404-727-1980 (voice) 404-727-6628 (fax) Email braams@mathcs.emory.edu

Recent publications

• Bastiaan J. Braams, Jerome K. Percus, and Zhengji Zhao, The T1 and T2 Representability Conditions. In: Reduced-Density-Matrix Mechanics with Applications to Many-electron Atoms and Molecules, Advances in Chemical Physics Vol 134, edited by D. A. Mazziotti (Wiley, New York, 2007).

• Maho Nakata, Bastiaan J. Braams, Mituhiro Fukuda, Jerome K. Percus, Makoto Yamashita, and Zhengji Zhao, Simple Hamiltonians which exhibit drastic failures by variational determination of the two-particle reduced density matrix with some well known N-representability conditions. Journal of Chemical Physics 126 (2007); in press.

• A. R. Sharma, J. Wu, B. J. Braams, S. Carter, R. Schneider, B. Shepler and J. M. Bowman, Potential energy surface and MULTIMODE vibrational analysis of C2H3+. Journal of Chemical Physics 125 (2006) #224306.

• Bastiaan J. Braams and David E. Manolopoulos, On the short time limit of ring polymer molecular dynamics. Journal of Chemical Physics 125 (2006) #124105.

• W. K. Park, J. Park, S. C. Park, B. J. Braams, C. Chen, and J. M. Bowman. Quasiclassical trajectory calculations of the reaction C+C2H2 ... l-C3H, c-C3H+H, C3+H2 using full-dimensional triplet and singlet potential energy surfaces. Journal of Chemical Physics 125 (2006) #081101.

• Xinchuan Huang, Bastiaan J. Braams, and Joel M. Bowman, Ab initio potential energy and dipole moment surfaces of (H2O)2. Journal of Physical Chemistry, 110:445, 2006.

• Zhong Jin, Bastiaan J. Braams, and Joel M. Bowman. An ab initio based global potential energy surface describing CH5+ ... CH3+ + H2. Journal of Physical Chemistry, 110:1569, 2006.

• X. Zhang, B. J. Braams and J. M. Bowman, An ab initio potential surface describing abstraction and exchange for H+CH4. Journal of Chemical Physics 124 (2006) \#021104.

• Bastiaan J. Braams, Thomas F. Miller III, and David E. Manolopoulos. Sum rule constraints on Kubo-transformed correlation functions. Chemical Physics Letters 418:179--184, 2006.

• R. Schneider, X. Bonnin, K. Borass, D. P. Coster, H. Kastelewicz, D. Reiter, V. A. Rozhansky, and B. J. Braams, Plasma edge physics with B2-Eirene. Contributions to Plasma Physics 46:3--191, 2006.