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The Journal of Chemical Physics|March 25, 2006
Tailored coupled cluster singles and doubles method applied to calculations on molecular structure and harmonic vibrational frequencies of ozoneOsamu Hino, Tomoko Kinoshita, Garnet Kin-Lic Chan, et al.Journal of Chemical Theory and Computation|July 22, 2017
Automated Construction of Molecular Active Spaces from Atomic Valence OrbitalsElvira R Sayfutyarova, Qiming Sun, Garnet Kin-Lic Chan, et al.The Journal of Chemical Physics|September 3, 2016
From plane waves to local Gaussians for the simulation of correlated periodic systemsGeorge H Booth, Theodoros Tsatsoulis, Garnet Kin-Lic Chan, et al.The Journal of Chemical Physics|October 9, 2007
The radical character of the acenes: a density matrix renormalization group studyJohannes Hachmann, Jonathan J Dorando, Michael Avilés, et al.The Journal of Chemical Physics|July 3, 2017
Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenesAlexander Yu Sokolov, Sheng Guo, Enrico Ronca, et al.Nature Computational Science|January 4, 2024
Quantum harmonic free energies for biomolecules and nanomaterialsAlec F White, Chenghan Li, Xing Zhang, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 29, 2011
A theoretical study of the 3d-M(smif)2 complexes: structure, magnetism, and oxidation statesJohannes Hachmann, Brenda A Frazier, Peter T Wolczanski, et al.Nano Letters|April 3, 2009
Perfect reflection of chiral fermions in gated graphene nanoribbonsJesse M Kinder, Jonathan J Dorando, Haitao Wang, et al.Journal of Chemical Theory and Computation|August 27, 2024
Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's FunctionLeopoldo Mejía, Sandeep Sharma, Roi Baer, et al.The Journal of Chemical Physics|November 4, 2017
Gaussian and plane-wave mixed density fitting for periodic systemsQiming Sun, Timothy C Berkelbach, James D McClain, et al.Pageof 16