Article
Physics, Fluids & Plasmas
Alain Comtet, Christophe Texier, Yves Tourigny
Summary: The article investigates the generalized Lyapunov exponent in the one-dimensional Schrodinger equation with a random potential and derives analytical expressions for the cumulant generating function of the logarithm of the wave function. The author focuses on the Cauchy disorder case and obtains simple asymptotic expressions for the generalized Lyapunov exponent and cumulant statistics in the universal regime. The large deviation function controlling the distribution of ln|Ψ(x)| is also explored in different limits, and an application to the conductance distribution is presented.
Review
Chemistry, Multidisciplinary
Kyle R. Bryenton, Adebayo A. Adeleke, Stephen G. Dale, Erin R. Johnson
Summary: This article reviews the history of delocalization error in density-functional theory (DFT), provides conceptual interpretations and illustrative examples of its manifestations, and discusses approaches to reduce this error and its interplay with other shortcomings of popular DFAs.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Stepan Fomichev, Leonard Ruocco, Alexandra Tully, Mona Berciu
Summary: We demonstrate that phonons can overscreen the bare electron-hole attraction, causing it to become repulsive at short distances and leading to exciton dissociation. This short-range phonon-mediated screening could have a significant impact on the physics of organic solar cell materials (and other materials with strong electron-phonon coupling), offering new possibilities for efficiency optimization.
Article
Mathematics
L. Benigni, P. Lopatto
Summary: This study focuses on the eigenvectors of generalized Wigner matrices with subexponential entries, showing that they delocalize at the optimal rate with overwhelming probability. High probability delocalization bounds with sharp constants are proven, with the extension of control to all generalized Wigner matrices.
ADVANCES IN MATHEMATICS
(2022)
Article
Astronomy & Astrophysics
Chengrong Deng, Shi-Lin Zhu
Summary: This paper systematically investigates doubly heavy tetraquark states with a molecule configuration in a nonrelativistic quark model. The results show that meson-exchange interactions and coupled channel effects play a crucial role in the formation and properties of these states.
Article
Chemistry, Multidisciplinary
Dennis Derewjanko, Dorothea Scheunemann, Emmy Jaersvall, Anna Hofmann, Christian Mueller, Martijn Kemerink
Summary: This study reveals a power-law relationship between conductivity and charge density in strongly p-doped conjugated polymers at high doping levels. Conventional models fail to explain this behavior, but a variable range hopping model with an energy-dependent localization length can. The superlinear increase in conductivity with charge density is observed when the Fermi level reaches partially delocalized states.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Shuzhi Hu, Tianyu Li, Mingbao Huang, Jinghua Huang, Wenjin Li, Liwen Wang, Zhenqiang Chen, Zhiyong Fu, Xianfeng Li, Zhenxing Liang
Summary: The introduction of a rotating phenyl ring to create a switchable conjugation system has proven successful in enhancing battery stability and capacity. By switching the conjugation off in the oxidized state and on in the reduced state, the battery demonstrates high energy efficiency and cycling stability.
ADVANCED MATERIALS
(2021)
Article
Chemistry, Physical
Tim Gould, Leeor Kronik
Summary: This study reviews two important extensions of Kohn-Sham (KS) theory: generalized KS theory and ensemble KS theory. The former allows for non-multiplicative potential operators while the latter enables the treatment of quantum ensembles, offering improvements in efficiency for practical calculations. The research combines these two extensions and explores a computationally tractable variant for handling complex scenarios.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Cristal Solares-Bockmon, Aniqa Ibnat Lim, Mohammadjavad Mohebinia, Xinxin Xing, Tian Tong, Xingpeng Li, Steven Baldelli, T. R. Lee, Wei Wang, Zhaoping Liu, Jiming Bao
Summary: Despite the accepted charge-discharge theory for AC generation from a moving droplet, this study shows that the theory cannot explain the reversal of current when water-metal interfaces switch from dynamic to static. A generalized theory is proposed that explains the photovoltaic-like effect for all dynamic junctions, leading to an understanding and design of efficient electricity generation based on interfacial charge transfer.
Article
Chemistry, Physical
Yu Liu, Chenghan Li, Gregory A. Voth
Summary: Transition state theory is commonly used for estimating transition rates in reactions. This study focuses on water-assisted proton transfer/transport reactions, particularly in protein systems. The authors derive a rate expression for a general n-dimensional case and evaluate the impact of the prefactor position dependence in proton transport processes through case studies.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Review
Chemistry, Inorganic & Nuclear
Christina Wegeberg, Oliver S. Wenger
Summary: This article highlights recently discovered chromium(0) and manganese(i) complexes emitting from metal-to-ligand charge transfer excited states, with MLCT lifetimes in the nanosecond regime. Although luminescence quantum yields are comparatively low, the photophysical properties provide insight for the further development of new luminescent first-row transition metal complexes.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Zeng Chen, Chengliang He, Peng Ran, Xu Chen, Yao Zhang, Chi Zhang, Runchen Lai, Yang (Michael) Yang, Hongzheng Chen, Haiming Zhu
Summary: This study investigates the photoinduced charge generation process in nonfullerene acceptor (NFA) based organic solar cells (OSCs). The results show that there is dominant ultrafast and lossless Forster resonance energy transfer (FRET) from photoexcited polymer donors to Y6, followed by reverse hole transfer (HT). This two-step process facilitates spectral uniform photocurrent generation and lowers the non-radiative recombination energy loss.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Physics, Multidisciplinary
Xiao-Qi Sun, Penghao Zhu, Taylor L. Hughes
Summary: The study reveals the presence of disclination-induced non-Hermitian skin effects in systems with fourfold rotation symmetry, leading to nontrivial one-dimensional point-gap topology along the direction of the disclination lines. The results can be described using field theory, enriching the topological field theory of non-Hermitian systems.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Younes Valadbeigi, Jean-Francois Gal
Summary: New organometallic superacids of sulfonic acid derivatives were designed based on enhancing acidity through internal bonding with an electron-pair acceptor group BX2 (X = H, F, Cl, Br). Two classes of superacids were devised, resulting in obtaining an organometallic hyperacid with relatively small size.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
Hugh G. A. Burton
Summary: This article introduces an improved extension of the nonorthogonal Wick's theorem for computing matrix elements between different order excitations. By pre-computing and storing intermediate values, nonorthogonal matrix elements can be evaluated efficiently, facilitating the development of nonorthogonal electronic structure theory.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Meeting Abstract
Biophysics
Alessandro Cembran, Alysha A. Dicke, Alfonso De Simone, Kaustubh R. Mote, Vitaly V. Vostrikov, Gianluigi Veglia
BIOPHYSICAL JOURNAL
(2015)
Meeting Abstract
Biophysics
Andrew K. Lewis, Alessandro Cembran, Tiffany L. Senkow, Ryan Mahling, Gabriella T. Perell, Megan R. McCarthy, Cheng Her, Benjamin T. Horn, Christopher C. Valley, Christine B. Karim, Jiali Gao, William C. Pomerantz, David D. Thomas, Anne Hinderliter, Jonathan N. Sachs
BIOPHYSICAL JOURNAL
(2015)
Meeting Abstract
Biophysics
Alessandro Cembran, Anne Hinderliter, Benjamin T. Horn, Caitlin T. Pederson, Katie L. Schneider, Jesse A. Skogstad
BIOPHYSICAL JOURNAL
(2016)
Meeting Abstract
Biophysics
Michael E. Fealey, Benjamin Horn, Alessandro Cembran, Anne Hinderliter, David D. Thomas
BIOPHYSICAL JOURNAL
(2016)
Meeting Abstract
Biophysics
Yingjie Wang, Alessandro Cembran, Jiali Gao, Gianluigi Veglia, Susan S. Taylor, Sanford M. Simon
BIOPHYSICAL JOURNAL
(2016)
Article
Biochemistry & Molecular Biology
Andrew K. Lewis, Katie M. Dunleavy, Tiffany L. Senkow, Cheng Her, Benjamin T. Horn, Mark A. Jersett, Ryan Mahling, Megan R. McCarthy, Gabriella T. Perell, Christopher C. Valley, Christine B. Karim, Jiali Gao, William C. K. Pomerantz, David D. Thomas, Alessandro Cembran, Anne Hinderliter, Jonathan N. Sachs
NATURE CHEMICAL BIOLOGY
(2016)
Meeting Abstract
Biophysics
Anthony T. Meger, Steven M. Berry, Alessandro Cembran
BIOPHYSICAL JOURNAL
(2018)
Meeting Abstract
Biophysics
Alida Besch, Alessandro Cembran
BIOPHYSICAL JOURNAL
(2018)
Article
Biophysics
Michael E. Fealey, Benjamin Horn, Christian Coffman, Robert Miller, Ave Y. Lin, Andrew R. Thompson, Justine Schramel, Erin Groth, Anne Hinderliter, Alessandro Cembran, David D. Thomas
BIOPHYSICAL JOURNAL
(2018)
Article
Biophysics
Sarah J. Moe, Alessandro Cembran
BIOPHYSICAL JOURNAL
(2020)
Article
Chemistry, Physical
Robert C. Miller, Cody P. Aplin, Taryn M. Kay, Ryan Leighton, Christin Libal, Rowan Simonet, Alessandro Cembran, Ahmed A. Heikal, Arnold J. Boersma, Erin D. Sheets
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Correction
Chemistry, Physical
Robert C. Miller, Cody P. Aplin, Taryn M. Kay, Ryan Leighton, Christin Libal, Rowan Simonet, Alessandro Cembran, Ahmed A. Heikal, Arnold J. Boersma, Erin D. Sheets
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Review
Neurosciences
Ryan Myers, Alessandro Cembran, Pedro Fernandez-Funez
FRONTIERS IN CELLULAR NEUROSCIENCE
(2020)
Meeting Abstract
Biophysics
Sarah Moe, Alessandro Cembran
BIOPHYSICAL JOURNAL
(2018)
Article
Biochemistry & Molecular Biology
Gabriella T. Perell, Rachel Lynn Staebell, Mehrdad Hairani, Alessandro Cembran, William C. K. Pomerantz