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of 64
pro vyhledávání: '"Nguyễn Ngọc Linh"'
In this study, we employ a first-principles approach to conduct a comprehensive investigation of the properties of nine common native point defects in cubic boron nitride. This analysis combines standard semi-local and dielectric hybrid density-excha
Externí odkaz:
http://arxiv.org/abs/2402.08464
Autor:
Linscott, Edward, Colonna, Nicola, De Gennaro, Riccardo, Nguyen, Ngoc Linh, Borghi, Giovanni, Ferretti, Andrea, Dabo, Ismaila, Marzari, Nicola
Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity co
Externí odkaz:
http://arxiv.org/abs/2302.07759
Publikováno v:
Tạp chí Khoa học Đại học Cần Thơ, Iss 9 (2008)
Tổng số bò được giám định là 699 con, trong đó có 78 bò đực, 437 bò cái, 78 bê đực và 106 bê cái. Về xếp cấp ngoại hình, số bò cái đạt cấp kỷ lục chiếm 27,23%, đặc cấp 21,05%, cấp I 19,91%
Externí odkaz:
https://doaj.org/article/374e1955e617496899af1121454d50da
Autor:
Dinh, Kim-Hue T., Bui, Phi Huu, Dang, Nhat-Le Bui, Le, Thanh-Lieu T., Hieu, Hoang Nhat, Nguyen, Viet Huong, Nguyen, Ngoc Linh, Le Thi Ngoc, Loan, Van Bui, Hao
Publikováno v:
In Ceramics International 1 April 2024 50(7) Part A:10241-10251
Autor:
de Almeida, James Moraes, Nguyen, Ngoc Linh, Colonna, Nicola, Chen, Wei, Miranda, Caetano Rodrigues, Pasquarello, Alfredo, Marzari, Nicola
Obtaining a precise theoretical description of the spectral properties of liquid water poses challenges for both molecular dynamics (MD) and electronic structure methods. The lower computational cost of the Koopmans-compliant functionals with respect
Externí odkaz:
http://arxiv.org/abs/2106.11994
Publikováno v:
Phys. Rev. Lett. 122, 237402 (2019)
We present a method to compute optical spectra and exciton binding energies of molecules and solids based on the solution of the Bethe-Salpeter equation (BSE) and the calculation of the screened Coulomb interaction in finite field. The method does no
Externí odkaz:
http://arxiv.org/abs/1902.07845
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Autor:
Abate, Antonio, Dehmel, Raphael, Sepe, Alessandro, Nguyen, Ngoc Linh, Roose, Bart, Marzari, Nicola, Hong, Jun Ki, Hook, James M., Steiner, Ullrich, Neto, Chiara
The self-assembly of a single layer of organic molecules on a substrate is a powerful strategy to modify surfaces and interfacial properties. The detailed interplay of molecule-to-substrate and molecule-molecule interactions are crucial for the prepa
Externí odkaz:
http://arxiv.org/abs/1803.05672
Publikováno v:
J. Chem. Theory Comput. 14 (5), 2549 (2018)
Electronic-structure functionals that include screening effects, such as Hubbard or Koopmans' functionals, require to describe the response of a system to the fractional addition or removal of an electron from an orbital or a manifold. Here, we prese
Externí odkaz:
http://arxiv.org/abs/1711.04485