Zobrazeno 1 - 10
of 3 564
pro vyhledávání: '"P. Teale"'
We present an efficient graphical approach to construct projectors for the tensor reduction of multi-loop Feynman integrals with both Lorentz and spinor indices in $D$ dimensions. An ansatz for the projectors is constructed making use of its symmetry
Externí odkaz:
http://arxiv.org/abs/2408.05137
Autor:
Wibowo-Teale, Meilani, Huynh, Bang C., Wibowo-Teale, Andrew M., De Proft, Frank, Geerlings, Paul
[Abridged] The extension of conceptual DFT to include external fields in chemical systems is utilised to investigate the effects of strong magnetic fields on the electronic charge distribution and its consequences on the reactivity of $\pi$-systems.
Externí odkaz:
http://arxiv.org/abs/2402.15595
Autor:
Hou, Lin, Irons, Tom J. P., Wang, Yanyong, Furness, James W., Wibowo-Teale, Andrew M., Sun, Jianwei
Accurate approximation of the exchange-correlation (XC) energy in density functional theory (DFT) calculations is essential for reliably modelling electronic systems. Many such approximations are developed from models of the XC hole; accurate referen
Externí odkaz:
http://arxiv.org/abs/2403.17424
Symmetry provides a powerful machinery to classify, interpret, and understand quantum-mechanical theories and results. However, most contemporary quantum chemistry packages lack the ability to handle degeneracy and symmetry breaking effects, especial
Externí odkaz:
http://arxiv.org/abs/2310.06749
Autor:
Ofstad, Benedicte Sverdrup, Wibowo-Teale, Meilani, Kristiansen, Håkon Emil, Aurbakken, Einar, Kitsaras, Marios Petros, Schøyen, Øyvind Sigmundson, Hauge, Eirill, Kvaal, Simen, Stopkowicz, Stella, Wibowo-Teale, Andrew M., Pedersen, Thomas Bondo
We present a numerical approach to magnetic optical rotation based on real-time time-dependent electronic-structure theory. Not relying on perturbation expansions in the magnetic-field strength, the formulation allows us to test the range of validity
Externí odkaz:
http://arxiv.org/abs/2308.06003
On any night in Canada, at least 35,000 individuals experience homelessness. These individuals use emergency shelters to transition out of homelessness and into permanent housing. We designed and deployed a technology to support front-line staff at t
Externí odkaz:
http://arxiv.org/abs/2310.13795
In density functional theory the exchange-correlation (XC) energy functional can be defined exactly through the coupling-constant ($\lambda$) averaged XC hole $\bar{n}_\text{xc}(\mathbf{r},\mathbf{r}')$, representing the probability depletion of find
Externí odkaz:
http://arxiv.org/abs/2303.17149
Autor:
Zhu, Tong, Teale, Sam, Grater, Luke, Vasileiadou, Eugenia S., Sharir-Smith, Jonathan, Chen, Bin, Kanatzidis, Mercouri G., Sargent, Edward H.
We developed a generalized model that considers light as energy contributed through the thermalization of excited carriers to generate excitation-intensity- and temperature-dependent phase diagrams. We find that the model replicates the light-induced
Externí odkaz:
http://arxiv.org/abs/2301.12627
Publikováno v:
International Journal of Mental Health Systems, Vol 18, Iss 1, Pp 1-13 (2024)
Abstract Background Delayed discharge is problematic. It is financially costly and can create barriers to delivering best patient care, by preventing return to usual functioning and delaying admissions of others in need. This systematic review aimed
Externí odkaz:
https://doaj.org/article/25dfc3452d224cb691ab7e99fe12163e
Autor:
Pokharel, Kanun, Furness, James W., Yao, Yi, Blum, Volker, Irons, Tom J. P., Teale, Andrew M., Sun, Jianwei
Machine learning techniques have received growing attention as an alternative strategy for developing general-purpose density functional approximations, augmenting the historically successful approach of human designed functionals derived to obey mat
Externí odkaz:
http://arxiv.org/abs/2205.14241