biblio

Filters: Author is Yanai, Takeshi  [Clear All Filters]
2008
G. Kin- Lic Chan, Dorando, J. J., Ghosh, D., Hachmann, J., Neuscamman, E., Wang, H., and Yanai, T., “Introduction to the density matrix renormalization group ansatz in quantum chemistry”, Frontiers in Quantum Systems in Chemistry and Physics, vol. 18, pp. 49-65, 2008.
D. Ghosh, Hachmann, J., Yanai, T., and Chan, G. Kin- Lic, “Orbital optimization in the density matrix renormalization group, with applications to polyenes and ss-carotene”, Journal of Chemical Physics, vol. 128, no. 14, 2008.
2009
T. Yanai, Kurashige, Y., Ghosh, D., and Chan, G. Kin- Lic, “Accelerating convergence in iterative solution for large-scale complete active space self-consistent-field calculations”, International Journal of Quantum Chemistry, vol. 109, no. 10, pp. 2178-2190, 2009.