Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Ruojing Peng"'
Publikováno v:
Physical Review Research, Vol 5, Iss 1, p 013156 (2023)
Many computational problems can be formulated in terms of high-dimensional functions. Simple representations of such functions and resulting computations with them typically suffer from the “curse of dimensionality,” an exponential cost dependenc
Externí odkaz:
https://doaj.org/article/d3b373b5f5744ac6996db4ae90ead703
We extend the finite-temperature Keldysh non-equilibrium coupled cluster theory (Keldysh-CC) [{\it J. Chem. Theory Comput.} \textbf{2019}, 15, 6137-6253] to include a time-dependent orbital basis. When chosen to minimize the action, such a basis rest
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cb3c450b3e4a41173f29e75b5df2026b
http://arxiv.org/abs/2106.02691
http://arxiv.org/abs/2106.02691
Autor:
Ruojing Peng, Jovica D. Badjić, Priti Soni, Taylor A. Neal, Weikun Wang, Lei Zhiquan, Han Xie
Publikováno v:
Chemistry – A European Journal. 25:1242-1248
Inspired by polyvalency and its prevalence in nature, we developed an efficient synthetic route for accessing a large variety of multivalent and dual-cavity baskets from inexpensive and abundant starting materials. First, the cycloaddition of vinyl a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::636f01d1915ef12b6cdf0f7926386b3b
https://doi.org/10.1002/chem.201805246
https://doi.org/10.1002/chem.201805246
We present a new approach for simulating X-ray absorption spectra based on linear-response density cumulant theory (LR-DCT) [ Copan , A. V. ; Sokolov , A. Yu. J. Chem. Theory Comput. 2018 , 14 , 4097 - 4108 ]. Our new method combines the LR-ODC-12 fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cb3053df2f8f37627ca5364420d054ff
http://arxiv.org/abs/1812.08827
http://arxiv.org/abs/1812.08827
Autor:
Lei Zhiquan, Ruojing Peng, Priti Soni, Han Xie, Taylor A. Neal, Jovica D. Badjić, Weikun Wang
Publikováno v:
Chemistry - A European Journal. 25:1115-1115
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e361b4f906dbdcd2360730fcaeb9e1aa
https://doi.org/10.1002/chem.201806120
https://doi.org/10.1002/chem.201806120