Results 41 to 50 of about 5,066,237 (304)
, 1994 Characteristics of mass spectra and decays of orbitally excited charm mesons and baryons, expected on the basis of quark models and Heavy Quark Symmetry, are briefly described.
Shukla, Shekhar
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Fast and accurate excited states predictions: Machine learning and diabatization [PDF]
, 2023 The efficiency of machine learning algorithms for electronically excited states is far behind ground-state applications. One of the underlying problems is the insufficient smoothness of the fitted potential energy surfaces and other properties in the ...
Štěpán, Sršeň +2 more
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Are highly excited nuclear states merely chaotic? [PDF]
EPJ Web of ConferencesIncreasing evidence suggests that we may not fully understand highly excited nuclear states. According to predictions from random matrix theory, which assumes that dynamical correlations are so strong that the underlying physical geometric structure is ...
Sun Yang
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Surface Hopping Dynamics with DFT Excited States
, 2015 WOS:000361155700012International audienceNonadiabatic dynamics simulation of electronically-excited states has been a research area of fundamental importance, providing support for spectroscopy, explaining photoinduced processes, and predicting new ...
Barbatti, Mario +7 more
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A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction [PDF]
, 2019 A balanced description of ground and excited states is essential for the description of many chemical processes. However, few methods can handle cases where static correlation is present, and often these scale very unfavourably with system size. Recently,
Alex, Thom, Hugh G. A., Burton
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Subsystem distances between quasiparticle excited states
Journal of High Energy Physics, 2022 We investigate the subsystem Schatten distance, trace distance and fidelity between the quasiparticle excited states of the free and the nearest-neighbor coupled fermionic and bosonic chains and the ferromagnetic phase of the spin-1/2 XXX chain.
Jiaju Zhang, M. A. Rajabpour
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, 2009 The nature and dynamics of DNA excited states is of pivotal importance in determining both DNA ultraviolet photostability and its vulnerability toward photodamage.
Ma, C, Phillips, DL, Kwok, WM
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Exploring the energy disposal immediately after bond-breaking in solution:the wavelength-dependent excited state dissociation pathways of para-methylthiophenol [PDF]
, 2013 A wavelength-resolved (λpump = 295, 285, 270, and 267 nm) photodissociation study of para-methylthiophenol (p-MePhSH) in ethanol solution has been performed using femtosecond transient absorption (TA) spectroscopy, and the results compared with those ...
Das, Saptaparna +5 more
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Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space [PDF]
, 2019 In this contribution, we continue with our enterprise regarding the systematization of chemical bonding in excited states. We show how real space electron localization and delocalization measures, coupled to the statistical analysis of electron number ...
Jesús, Hernández-Trujillo +5 more
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Multi-State Density Functional Theory for Ground and Excited States [PDF]
, 2021 We report a rigorous formulation of multi-state density functional theory (MSDFT) that extends the Kohn-Sham (KS) energy functional for the ground state to a Hamiltonian matrix functional H[D] of the density matrix D in the space spanned by the lowest N ...
Jiali, Gao, Yangyi, Lu
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