A new post-quantization constrained propagator for rigid tops for use in path integral quantum simulations.
Guillon G, Zeng T, Roy PN.
Guillon G, et al. Among authors: zeng t.
J Chem Phys. 2013 Nov 14;139(18):184115. doi: 10.1063/1.4829506.
J Chem Phys. 2013.
PMID: 24320262
In this paper, we extend the previously introduced Post-Quantization Constraints (PQC) procedure [G. Guillon, T. Zeng, and P.-N. Roy, J. Chem. Phys. 138, 184101 (2013)] to construct approximate propagators and energy estimators for different rigid body systems, name …
In this paper, we extend the previously introduced Post-Quantization Constraints (PQC) procedure [G. Guillon, T. Zeng, and P.- …