electron Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,542-569DOI: 10.1039/D4FD00062E, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kemal Atalar, Yannic Rath, Rachel Crespo-Otero, George H. BoothEfficient multi-state interpolation of many-body wavefunctions enables rigorous nonadiabatic molecular dynamics with analytical forces and nonadiabatic coupling vectors.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
electron Striking the right balance of encoding electron correlation in the Hamiltonian and the wavefunction ansatz By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,359-381DOI: 10.1039/D4FD00060A, Paper Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Kalman Szenes, Maximilian Mörchen, Paul Fischill, Markus ReiherWe present a discussion of explicit correlation approaches which address the nagging problem of dealing with static and dynamic electron correlation in multi-configurational active-space approaches.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
electron Introducing electron correlation in solid-state calculations for superconducting states By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,598-611DOI: 10.1039/D4FD00073K, PaperWilver A. Muriel, Trinidad Novoa, Carlos Cárdenas, Julia Contreras-GarcíaThe superconducting electron localization can be obtained from a common solid-state calculation, where correlation is introduced as a redistribution of electrons around the Fermi level. This is applied to two typical superconductors, H3S and LaH10.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
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electron Der Zauberstab der Analogie : Untersuchungen zu den Erscheinungsweisen und Funktionen von Analogien in sprachlichen Sinnbildungsprozessen [Electronic book] / Wilhelm Köller. By encore.st-andrews.ac.uk Published On :: Berlin ; Boston : De Gruyter, [2023] Full Article
electron Your sons are at your service : Tunisia's missionaries of jihad [Electronic book] / Aaron Y. Zelin. By encore.st-andrews.ac.uk Published On :: New York : Columbia University Press, [2020] Full Article
electron You Can't Write That : 8 Myths About Correct English [Electronic book] / Laura Aull. By encore.st-andrews.ac.uk Published On :: Cambridge : Cambridge University Press, 2023. Full Article
electron You can't fight tanks with bayonets [Electronic book] : psychological warfare against the Japanese Army in the Southwest Pacific / Allison B. Gilmore. By encore.st-andrews.ac.uk Published On :: Lincoln : University of Nebraska Press, [1998] Full Article
electron Writings on media : history of the present [Electronic book] / Stuart Hall ; edited by Charlotte Brunsdon. By encore.st-andrews.ac.uk Published On :: Durham : Duke University Press, 2021. Full Article
electron Writing Beloveds : Humanist Petrarchism and the Politics of Gender [Electronic book] / Aileen A. Feng. By encore.st-andrews.ac.uk Published On :: Buffalo : University of Toronto Press, [2017] Full Article
electron Wreckage [Electronic book] / Tom Ratcliffe. By encore.st-andrews.ac.uk Published On :: London : Methuen Drama, 2022. Full Article
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electron Worlding the south : Nineteenth-century literary culture and the southern settler colonies [Electronic book] / ed. by Sarah Comyn, Porscha Fermanis. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, [2021] Full Article
electron The Worlding of Arabic Literature : Language, Affect, and the Ethics of Translatability [Electronic book] / Anna Ziajka Stanton. By encore.st-andrews.ac.uk Published On :: New York, NY : Fordham University Press, [2023] Full Article
electron A world without Jews : the Nazi imagination from persecution to genocide [Electronic book] / Alon Confino. By encore.st-andrews.ac.uk Published On :: New Haven, Connecticut : Yale University Press, 2014. Full Article
electron The world of consumption : the material and cultural revisited [Electronic book] / Ben Fine. By encore.st-andrews.ac.uk Published On :: London ; New York : Routledge, 2002. Full Article
electron Working against the grain re-imagining Black theology in the 21st century [Electronic book] / Anthony G. Reddie. By encore.st-andrews.ac.uk Published On :: London : Routledge, 2014. Full Article
electron Wondrously wounded : theology, disability, and the body of Christ [Electronic book] / Brian Brock. By encore.st-andrews.ac.uk Published On :: Waco, Texas : Baylor University Press, [2019] Full Article
electron Women's medicine : Sex, family planning and British female doctors in transnational perspective, 1920-70 [Electronic book] / Caroline Rusterholz. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, [2020] Full Article
electron Women, Life, Freedom : Our Fight for Human Rights and Equality in Iran [Electronic book] / Nasrin Sotoudeh. By encore.st-andrews.ac.uk Published On :: Ithaca, NY : Cornell University Press, [2023] Full Article
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electron Women filmmakers of the African and Asian diaspora : decolonizing the gaze, locating subjectivity [Electronic book] / Gwendolyn Audrey Foster. By encore.st-andrews.ac.uk Published On :: Carbondale : Southern Illinois University Press, 2008. Full Article
electron Women and the abuse of power : interdisciplinary perspectives [Electronic book] / edited by Helen Gavin. By encore.st-andrews.ac.uk Published On :: Bingley, UK : Emerald Publishing Limited, 2022. Full Article
electron Woman and Chinese modernity : the politics of reading between West and East [Electronic book] / Rey Chow. By encore.st-andrews.ac.uk Published On :: Minneapolis, MN ; London : University of Minnesota Press, 1997. Full Article
electron Witchcraft narratives in Germany : Rothenburg, 1561-1652 [Electronic book] / Alison Rowlands. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, [2018] Full Article
electron Witchcraft continued [Electronic book] / ed. by Willem De Blecourt, Owen Davies. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, [2018] Full Article
electron Wissensspeicher der Frühen Neuzeit : Formen und Funktionen [Electronic book] / herausgegeben von Frank Grunert und Anette Syndikus. By encore.st-andrews.ac.uk Published On :: Berlin ; Boston : De Gruyter, [2015] Full Article
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electron Wisdom sits in places : landscape and language among the Western Apache [Electronic book] / Keith H. Basso. By encore.st-andrews.ac.uk Published On :: Albuquerque : University of New Mexico Press, [1996] Full Article
electron The Winds of History : Life in a Corner of Rural Africa since the 19th Century [Electronic book] / Andreas Zeman. By encore.st-andrews.ac.uk Published On :: München ; Wien : De Gruyter Oldenbourg, [2023] Full Article
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electron Wilf [Electronic book] / James Ley. By encore.st-andrews.ac.uk Published On :: London : Methuen Drama, 2022. Full Article
electron Widowhood in early modern Spain : protectors, proprietors, and patrons [Electronic book] / by Stephanie Fink De Backer. By encore.st-andrews.ac.uk Published On :: Leiden ; Boston : Brill, 2010. Full Article
electron White torture [Electronic book] : interviews with Iranian women prisoners / Narges Mohammadi ; translated by Amir Rezanezhad ; [foreword by Shirin Ebadi]. By encore.st-andrews.ac.uk Published On :: New York : Oneworld Publications, 2022. Full Article
electron What's in a name? : talking about urban peripheries [Electronic book] / edited by Richard Harris and Charlotte Vorms. By encore.st-andrews.ac.uk Published On :: Toronto ; Buffalo ; London : University of Toronto Press, [2017] Full Article
electron What We Now Know About Race and Ethnicity [Electronic book] / Michael Banton. By encore.st-andrews.ac.uk Published On :: New York; Oxford : Berghahn Books, [2015] Full Article
electron West Indian intellectuals in Britain [Electronic book] / ed. by Bill Schwarz. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, [2018] Full Article
electron The West and the Word : Imagining, Formatting, and Ordering the American West in Nineteenth-Century Cultural Discourse [Electronic book] / Steffen Wöll. By encore.st-andrews.ac.uk Published On :: München ; Wien : De Gruyter Oldenbourg, [2020] Full Article
electron Weissbuch Gastroenterologie 2023/24 : Erkrankungen des Magen-Darm-Traktes, der Leber und der Bauchspeicheldrüse - Gegenwart und Zukunft [Electronic book] / hrsg. von Frank Lammert, Petra Lynen Jansen, Markus M. Lerch, Heiner Wedemeyer. By encore.st-andrews.ac.uk Published On :: Berlin ; Boston : De Gruyter, [2023] Full Article
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electron We shall not be moved : how Liverpool's working class fought redundancies, closures and cuts in the age of Thatcher [Electronic book] / Brian Marren. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, 2016. Full Article
electron Watching, Waiting : The Photographic Representation of Empty Places [Electronic book] / Sandra Križić Roban, Ana Šverko. By encore.st-andrews.ac.uk Published On :: [s.l.] : Universitaire Pers Leuven, 2023. Full Article
electron Warum wir eine Erbschaftssteuer brauchen : Eine philosophische Verteidigung [Electronic book] / Marcel Twele. By encore.st-andrews.ac.uk Published On :: Berlin ; Boston : De Gruyter, [2023] Full Article
electron A war of individuals : Bloomsbury attitudes to the Great War [Electronic book] / Jonathan Atkin. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, [2018] Full Article
electron Wannsee : the road to the final solution [Electronic book] / Peter Longerich ; translated by Lesley Sharpe and Jeremy Noakes. By encore.st-andrews.ac.uk Published On :: Oxford : Oxford University Press, [2021] Full Article
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electron Von den Medien zu den Plattformen : Die Regulierung öffentlicher Kommunikation im Zeichen der digitalen Revolution [Electronic book] / Urs Saxer. By encore.st-andrews.ac.uk Published On :: [s.l.] : Mohr Siebeck GmbH & Co. KG, 2023. Full Article
electron Violence against women's health in international law [Electronic book] / Sara De Vido. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, [2020] Full Article
