List of Publications
"Rapid analysis of coal blends by diffuse reflectance FTIR spectrometry"
P. M. Fredericks, R. Kobayashi and P. R. Osborn,
Fuel, 66, 1603 (1987).
"Gradient theory applied to the Brueckner Doubles method"
R. Kobayashi, N. C. Handy, R. D. Amos, G. W. Trucks, M. J. Frisch
and J. A. Pople,
J. Chem. Phys., 95, 6723 (1991).
"The analytic gradient of the perturbative triple excitations correction
to the Brueckner Doubles method"
R. Kobayashi, R. D. Amos and N. C. Handy,
Chem. Phys. Lett., 184, 195 (1991).
"Comparison of the Brueckner and coupled-cluster approaches to electron
correlation"
T. J. Lee, R. Kobayashi, R. D. Amos and N. C. Handy,
J. Chem. Phys., 96, 8931 (1992)
"Electron densities from the Brueckner doubles method"
C. M. v Heusden, R. Kobayashi, R. D. Amos and N. C. Handy,
Theor. Chim. Acta, 86, 25 (1993).
"Comparison of coupled cluster and Brueckner coupled cluster calculations
of molecular properties"
R. Kobayashi, H. Koch, P. Jorgensen and T. J. Lee,
Chem. Phys. Lett., 211, 94 (1993).
"Brueckner coupled cluster response functions"
H. Koch, R. Kobayashi and P. Jorgensen,
Int. J. Quant. Chem., 49, 835 (1994).
"Structure and properties of disilyne"
M. Huehn, R. D. Amos, R. Kobayashi and N. C. Handy,
J. Chem. Phys., 98, 7107 (1993).
"Large basis set calculations using Brueckner theory"
R. Kobayashi, R. D. Amos and N. C. Handy,
J. Chem. Phys., 100, 1375 (1994).
"Multiconfigurational self consistent field (MCSCF) calculations
of nuclear shieldings using London orbitals"
K. Ruud, T. Helgaker, R. Kobayashi, P. Jorgensen, K. L. Bak and H.
J. Aa. Jensen,
J. Chem. Phys., 100, 8178 (1994).
"Quartic coupled cluster force fields for the diazene isomers"
R. Kobayashi, O. Bludsky, H. Koch and P. Jorgensen,
Chem. Phys. Lett., 215, 576 (1993).
"Static polarisabilities and dipole moment derivatives for the closed
shell coupled cluster singles and doubles wavefunction"
R. Kobayashi, H. Koch and P. Jorgensen,
J. Chem. Phys., 101, 4956 (1994).
"Calculation of size-intensive transition moments from the coupled
cluster singles and doubles (CCSD) linear response function"
H. Koch, R. Kobayashi, A. Sanchez de Meras and P. Jorgensen,
J. Chem. Phys., 100, 4393 (1994).
"Calculation of frequency dependent polarizabilities using coupled
cluster response theory"
R. Kobayashi, H. Koch and P. Jorgensen,
Chem. Phys. Lett., 219, 30 (1994).
"An ab initio quartic force field and fundamental frequencies of
o-benzyne"
O. Bludsky, V. Spirko, R. Kobayashi and P. Jorgensen,
Chem. Phys. Lett., 228, 568 (1994).
"A direct atomic orbital driven implementation of the coupled cluster
singles and doubles (CCSD) model"
H. Koch, O. Christiansen, R. Kobayashi, P. Jorgensen and T. Helgaker,
Chem. Phys. Lett., 228, 233 (1994).
"Dynamic CCSD polarisabilities of CHF3 and CHCl3"
R. Kobayashi, H. Koch, R. D. Amos and P. Jorgensen,
Chem. Phys. Lett., 253, 373 (1996).
"A direct coupled cluster algorithm for massively parallel computers"
R. Kobayashi and A. P. Rendell,
Chem. Phys. Lett., 256, 1 (1997).
"A CCSD(T) Study of the Relative Stabilities of Cytosine Tautomers"
R. Kobayashi,
J. Phys. Chem., 102, 10813 (1998).
"Coupled cluster ab initio potential energy surfaces for CO...He
and CO...H2"
R. Kobayashi, R. D. Amos, J. P. Reid, H. M. Quiney and C. J. S. M. Simpson,
Mol. Phys., (In Press).