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Nuclear Quantum Effects
Although the observable universe strictly obeys the laws of quantum mechanics, in many instances, a classical description that either ignores quantum effects entirely or accounts for them at a very crude level is sufficient to describe a wide variety of phenomena. However, when this approximation breaks down, as is often the case for processes involving light nuclei, a full quantum treatment becomes indispensable. This Special Topic showcases recent advances in our understanding of nuclear quantum effects in condensed phases as well as novel algorithmic developments and applications that have enhanced the capability to study these effects.
Guest Editors: Mark Tuckerman and David Ceperley
Preface
Mark Tuckerman; David Ceperley
Articles
Joseph R. Cendagorta; Zlatko Bačić; Mark E. Tuckerman
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A. R. Hopkinson; M. I. J. Probert
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B. P. Abolins; R. E. Zillich; K. B. Whaley
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Sven Karsten; Sergei D. Ivanov; Sergey I. Bokarev; Oliver Kühn
Articles
Michael J. Willatt; Michele Ceriotti; Stuart C. Althorpe
Articles
Yining Han; Jaehyeok Jin; Jacob W. Wagner; Gregory A. Voth
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Vilhjálmur Ásgeirsson; Andri Arnaldsson; Hannes Jónsson
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Shinichi Miura
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Takashi Ikeda
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Y. K. Law; A. A. Hassanali
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Takashi Kumagai; Janina N. Ladenthin; Yair Litman; Mariana Rossi; Leonhard Grill; Sylwester Gawinkowski; Jacek Waluk; Mats Persson
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Yexin Feng; Zhichang Wang; Jing Guo; Ji Chen; En-Ge Wang; Ying Jiang; Xin-Zheng Li
Articles
Deepak Ojha; Andrés Henao; Thomas D. Kühne
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Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics
Xuecheng Tao; Philip Shushkov; Thomas F. Miller, III
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Matthew S. Church; Timothy J. H. Hele; Gregory S. Ezra; Nandini Ananth
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Igor Poltavsky; Robert A. DiStasio, Jr.; Alexandre Tkatchenko
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Masahiko Machida; Koichiro Kato; Motoyuki Shiga
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Christian J. Burnham; Zdenek Futera; Niall J. English