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The Journal of Chemical Physics|December 18, 2023
Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyondHuanchen Zhai, Henrik R Larsson, Seunghoon Lee, et al.The Journal of Chemical Physics|February 15, 2013
The orbital-specific virtual local triples correction: OSV-L(T)Martin Schütz, Jun Yang, Garnet Kin-Lic Chan, et al.The Journal of Chemical Physics|March 18, 2014
Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimerSandeep Sharma, Takeshi Yanai, George H Booth, et al.The Journal of Chemical Physics|July 1, 2024
Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamicsXing Zhang, Chenghan Li, Hong-Zhou Ye, et al.The Journal of Physical Chemistry Letters|April 26, 2020
Exploring the Magnetic Properties of the Largest Single-Molecule MagnetsHenry F Schurkus, Dianteng Chen, Matthew J O'Rourke, et al.Journal of Chemical Theory and Computation|March 5, 2025
Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural OrbitalsYu Hsuan Liang, Xing Zhang, Garnet Kin-Lic Chan, et al.The Journal of Chemical Physics|January 24, 2015
The ab-initio density matrix renormalization group in practiceRoberto Olivares-Amaya, Weifeng Hu, Naoki Nakatani, et al.Physical Review Letters|November 19, 2013
Striped spin liquid crystal ground state instability of kagome antiferromagnetsBryan K Clark, Jesse M Kinder, Eric Neuscamman, et al.The Journal of Chemical Physics|June 24, 2020
Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculationsHenry F Schurkus, Garnet Kin-Lic Chan, Dian-Teng Chen, et al.Journal of Chemical Theory and Computation|January 27, 2022
Pure State v-Representability of Density Matrix Embedding TheoryFabian M Faulstich, Raehyun Kim, Zhi-Hao Cui, et al.Pageof 16