\textit{In-situ} pseudopotentials for electronic structure theory

Autor: Björnson, K., Wills, J. M., Alouani, M., Grånäs, O., Thunström, P., Ong, Chin Shen, Eriksson, O.

We present a general method of constructing \textit{in-situ} pseodopotentials from first principles, all-electron, full-potential electronic structure calculations of a solid. The method is applied to bcc Na, at equilibrium volume. The essential step

Externí odkaz: http://arxiv.org/abs/2102.04719

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First-principles study of the Kondo physics of a single Pu impurity in a Th host

Autor: Zhu, Jian-Xin, Albers, R. C., Haule, K., Wills, J. M.

Based on its condensed-matter properties, crystal structure, and metallurgy, which includes a phase diagram with six allotropic phases, plutonium is one of the most complicated pure elements in its solid state. Its anomalous properties, which are ind

Externí odkaz: http://arxiv.org/abs/1501.06252

Critical care usage after major gastrointestinal and liver surgery: a prospective, multicentre observational study

Autor: McLean, K.A., Glasbey, J.C., Borakati, A., Brooks, T.M., Chang, H.M., Choi, S.M., Goodson, R., Nielsen, M., Pronin, S., Salloum, N.L., Sewart, E., Vanniasegaram, D., Drake, T.M., Gillies, M.A., Harrison, E.M., Chapman, S.J., Khatri, C., Kong, C.Y., Claireaux, H.A., Bath, M.F., Mohan, M., McNamee, L., Kelly, M., Mitchell, H., Fitzgerald, J.E., Bhangu, A., Nepogodiev, D., Antoniou, I., Dean, R., Davies, N., Trecarten, S., Henderson, I., Holmes, C., Wylie, J., Shuttleworth, R.H., Jindal, A., Hughes, F., Gouda, P., Fleck, R., Hanrahan, M., Karunakaran, P., Chen, J.H., Sykes, M.C., Sethi, R.K., Suresh, S., Patel, P., Patel, M., Varma, R.K., Mushtaq, J., Gundogan, B., Bolton, W., Khan, T., Burke, J., Morley, R., Favero, N., Adams, R., Thirumal, V., Kennedy, E.D., Ong, K.K., Tan, Y.H., Gabriel, J., Bakhsh, A., Low, J.Y.L., Yener, A., Paraoan, V., Preece, R., Tilston, T.W., Cumber, E., Dean, S., Ross, T., McCance, E., Amin, H., Satterthwaite, L., Clement, K.D., Gratton, R., Mills, E.D., Chiu, S.M., Hung, G., Rafiq, N.M., Hayes, J.D.B., Robertson, K.L., Dynes, K., Huang, H.C., Assadullah, S., Duncumb, J.W., Moon, R.D.C., Poo, S.X., Mehta, J.K., Joshi, K.R., Callan, R., Norris, J.M., Chilvers, N.J., Keevil, H., Jull, P., Mallick, S., Elf, D., Carr, L., Player, C., Barton, E.C., Martin, A.L., Ratu, S.G., Roberts, E.J., Phan, P.N., Dyal, A.R., Rogers, J.E., Henson, A.D., Reid, N.B., Burke, D., Culleton, G., Lynne, S., Mansoor, S., Brennan, C., Blessed, R., Holloway, C., Hill, A., Goldsmith, T., Mackin, S., Kim, S., Woin, E., Brent, G., Coffin, J., Ziff, O., Momoh, Z., Debenham, R., Ahmed, M., Yong, C.S., Wan, J.C., Copley, H.C., Raut, P., Chaudhry, F.I., Nixon, G., Dorman, C., Tan, R., Kanabar, S., Canning, N., Dolaghan, M., Bell, N., McMenamin, M., Chhabra, A., Duke, K., Turner, L., Patel, T., Chew, L.S., Mirza, M., Lunawat, S., Oremule, B., Ward, N., Khan, M., Tan, E.T., Maclennan, D., McGregor, R.J., Chisholm, E.G., Griffin, E.J., Bell, L., Hughes, B.A., Davies, J., Haq, H., Ahmed, H., Ungcharoen, N., Whacha, C., Thethi, R., Markham, R.M., Lee, A.H.Y., Batt, E., Bullock, N.P., Francescon, C.T., Davies, J.E., Shafiq, N.M., Zhao, J., Vivekanantham, S., Barai, I., Allen, J.L.Y., Marshall, D.C., McIntyre, C.J., Wilson, H.C.P., Ashton, A.J., Lek, C., Behar, N., Davis-Hall, M., Seneviratne, N., Esteve, L., Sirakaya, M., Ali, S., Pope, S., Ahn, J.S., Craig-McQuaide, A., Gatfield, W.A., Leong, S., Demetri, A.M., Kerr, A.L., Rees, C., Loveday, J., Liu, S., Wijesekera, M., Maru, D., Attalla, M., Smith, N., Brown, D., Sritharan, P., Shah, A., Charavanamuttu, V., Heppenstall-Harris, G., Ng, K., Raghvani, T., Rajan, N., Hulley, K., Moody, N., Williams, M., Cotton, A., Sharifpour, M., Lwin, K.N., Bright, M., Chitnis, A.R., Abdelhadi, M., Semana, A.D., Morgan, F., Reid, R., Dickson, J., Anderson, L., McMullan, R., Ahern, N., Asmadi, A., Anderson, L.B., Boon Xuan, J. Lua, Crozier, L., McAleer, S., Lees, D.M., Adebayo, A.A., Das, M., Amphlett, A.H., Al-Robeye, A., Valli, A., Khangura, J., Winarski, A., Ali, A., Woodward, H., Gouldthrope, C., Turner, M., Sasapu, K., Tonkins, M., Wild, J.R.L., Robinson, M., Hardie, J., Heminway, R., Narramore, R., Ramjeeawon, N., Hibberd, A., Winslow, F., Ho, W., Chong, B.F., Lim, K., Ho, S., Crewdson, J.A., Singagireson, S., Kalra, N., Koumpa, F., Jhala, H., Soon, W.C., Karia, M., Rasiah, M.G., Xylas, D., Gilbert, H., Sundar-Singh, M., Wills, J., Akhtar, S., Patel, S., Hu, L., Brathwaite-Shirley, C., Nayee, H., Amin, O., Rangan, T., Turner, E.J.H., McCrann, C., Shepherd, R., Patel, N., Prest-Smith, J., Auyoung, E., Murtaza, A., Coates, A., Prys-Jones, O., King, M., Gaffney, S., Dewdney, C.J., Nehikhare, I., Lavery, J., Bassett, J., Davies, K., Ahmad, K., Collins, A., Acres, M., Egerton, C., Cheng, K., Chen, X., Chan, N., Sheldon, A., Khan, S., Empey, J., Ingram, E., Malik, A., Johnstone, M., Goodier, R., Shah, J.P., 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K. Abd

Publikováno v: In British Journal of Anaesthesia January 2019 122(1):42-50

Electronic Structure and Correlation Effects in PuCoIn5 as compared to PuCoGa5

Autor: Zhu, Jian-Xin, Tobash, P. H., Bauer, E. D., Ronning, F., Scott, B. L., Haule, K., Kotliar, G., Albers, R. C., Wills, J. M.

Since their discovery nearly a decade ago, plutonium-based superconductors have attracted considerable interest, which is now heightened by the latest discovery of superconductivity in PuCoIn5. In the framework of density functional theory (DFT) with

Externí odkaz: http://arxiv.org/abs/1106.4314