검색결과 : 17건
| No. | Article |
|---|---|
| 1 |
An Extended Computational Study of Criegee Intermediate-Alcohol Reactions Watson NAI, Black JA, Stonelake TM, Knowles PJ, Beames JM Journal of Physical Chemistry A, 123(1), 218, 2019 |
| 2 |
Fast linear scaling second-order Moller-Plesset perturbation theory (MP2) using local and density fitting approximations Werner HJ, Manby FR, Knowles PJ Journal of Chemical Physics, 118(18), 8149, 2003 |
| 3 |
Density matrix functional theory in average and relative coordinates Manby FR, Knowles PJ, Lloyd AW Chemical Physics Letters, 335(5-6), 409, 2001 |
| 4 |
A theoretical study of the electronic spectroscopy of the SiF3 radical Manby FR, Tuckett RP, Knowles PJ Chemical Physics Letters, 342(5-6), 599, 2001 |
| 5 |
Ab initio global potential, dipole, adiabatic, and relativistic correction surfaces for the HCN-HNC system van Mourik T, Harris GJ, Polyansky OL, Tennyson J, Csaszar AG, Knowles PJ Journal of Chemical Physics, 115(8), 3706, 2001 |
| 6 |
The Poisson equation in density fitting for the Kohn-Sham Coulomb problem Manby FR, Knowles PJ, Lloyd AW Journal of Chemical Physics, 115(20), 9144, 2001 |
| 7 |
Theoretical photoabsorption spectra of Ar-n(+) clusters Doltsinis NL, Knowles PJ Chemical Physics Letters, 325(5-6), 648, 2000 |
| 8 |
Convergence of Breit-Pauli spin-orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br Nicklass A, Peterson KA, Berning A, Werner HJ, Knowles PJ Journal of Chemical Physics, 112(13), 5624, 2000 |
| 9 |
An exchange functional for accurate virtual orbital energies Manby FR, Knowles PJ Journal of Chemical Physics, 112(16), 7002, 2000 |
| 10 |
Coupled cluster theory for high spin, open shell reference wave functions (vol 99, pg 5219, 1993) Knowles PJ, Hampel C, Werner HJ Journal of Chemical Physics, 112(6), 3106, 2000 |