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26,709 results

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Page 1
Randic energy of digraphs.
Cruz R, Monsalve J, Rada J. Cruz R, et al. Heliyon. 2022 Nov 24;8(11):e11874. doi: 10.1016/j.heliyon.2022.e11874. eCollection 2022 Nov. Heliyon. 2022. PMID: 36458296 Free PMC article.
Taking advantage of nice properties the Randic matrix has, we derive new upper and lower bounds for the Randic energy ER in digraphs. Some of these generalize known results for the Randic energy of graphs. Also, we deduce a new upper bound for the Rand …
Taking advantage of nice properties the Randic matrix has, we derive new upper and lower bounds for the Randic energy ER in di …
An Improved Lower Bound to the Ground-State Energy.
Pollak E. Pollak E. J Chem Theory Comput. 2019 Mar 12;15(3):1498-1502. doi: 10.1021/acs.jctc.9b00128. Epub 2019 Feb 18. J Chem Theory Comput. 2019. PMID: 30753072
The Arnoldi iterative method for determining eigenvalues is based on the observation that the effect of operating with the Hamiltonian on a vector may be expressed as a sum of parallel and perpendicular contributions. This identity is used here to improve the previous lower-bo
The Arnoldi iterative method for determining eigenvalues is based on the observation that the effect of operating with the Hamiltonian on a …
The reorganization energy of compounds upon binding to proteins, from dynamic and solvated bound and unbound states.
Foloppe N, Chen IJ. Foloppe N, et al. Bioorg Med Chem. 2021 Dec 1;51:116464. doi: 10.1016/j.bmc.2021.116464. Epub 2021 Oct 12. Bioorg Med Chem. 2021. PMID: 34798378
Indeed, estimating deltaE(Reorg) is technically difficult. Typically, deltaE(Reorg) has been approached by taking two energy-minimized conformers representing the bound and unbound states, and subtracting their conformational energy. ...The thermalized unboun …
Indeed, estimating deltaE(Reorg) is technically difficult. Typically, deltaE(Reorg) has been approached by taking two energy-minimize …
Energy dissipation bounds for autonomous thermodynamic cycles.
Bryant SJ, Machta BB. Bryant SJ, et al. Proc Natl Acad Sci U S A. 2020 Feb 18;117(7):3478-3483. doi: 10.1073/pnas.1915676117. Epub 2020 Feb 4. Proc Natl Acad Sci U S A. 2020. PMID: 32019890 Free PMC article.
How much free energy is irreversibly lost during a thermodynamic process? For deterministic protocols, lower bounds on energy dissipation arise from the thermodynamic friction associated with pushing a system out of equilibrium in finite time. Recent work has …
How much free energy is irreversibly lost during a thermodynamic process? For deterministic protocols, lower bounds on ener
Vortex-bound solitons in topological superfluid(3)He.
Mäkinen JT, Zhang K, Eltsov VB. Mäkinen JT, et al. J Phys Condens Matter. 2023 Mar 20;35(21). doi: 10.1088/1361-648X/acc227. J Phys Condens Matter. 2023. PMID: 36881912
The anisotropy axes characterize the broken symmetries in these macroscopically coherent quantum many-body systems. The systems' free energy has several degenerate minima for certain orientations of the anisotropy axes. ...Here we discuss possible soliton-vortex structures …
The anisotropy axes characterize the broken symmetries in these macroscopically coherent quantum many-body systems. The systems' free ene
Potential energy surface and bound states of the H(2)O-HF complex.
Loreau J, Kalugina YN, Faure A, van der Avoird A, Lique F. Loreau J, et al. J Chem Phys. 2020 Dec 7;153(21):214301. doi: 10.1063/5.0030064. J Chem Phys. 2020. PMID: 33291892
We present the first global five-dimensional potential energy surface for the H(2)O-HF dimer, a prototypical hydrogen bonded complex. ...The energies and wavefunctions of the lowest bound states of the complex were computed using a variational approach, and t …
We present the first global five-dimensional potential energy surface for the H(2)O-HF dimer, a prototypical hydrogen bonded complex. …
Universal lower bound on the free-energy cost of molecular measurements.
Das SG, Rao M, Iyengar G. Das SG, et al. Phys Rev E. 2017 Jun;95(6-1):062410. doi: 10.1103/PhysRevE.95.062410. Epub 2017 Jun 15. Phys Rev E. 2017. PMID: 28709258
We prove exactly that, when the signal dynamics is not perturbed by the receptors, the free energy consumed by the measurement process is lower bounded by a quantity proportional to the mutual information. ...
We prove exactly that, when the signal dynamics is not perturbed by the receptors, the free energy consumed by the measurement proces …
Energy-Constrained LOCC-Assisted Quantum Capacity of the Bosonic Dephasing Channel.
Arqand A, Memarzadeh L, Mancini S. Arqand A, et al. Entropy (Basel). 2023 Jun 29;25(7):1001. doi: 10.3390/e25071001. Entropy (Basel). 2023. PMID: 37509948 Free PMC article.
We study the LOCC-assisted quantum capacity of a bosonic dephasing channel with energy constraint on the input states. We start our analysis by focusing on the energy-constrained squashed entanglement of the channel, which is an upper bound for the energy
We study the LOCC-assisted quantum capacity of a bosonic dephasing channel with energy constraint on the input states. We start our a …
Spatial Rabi oscillations between Majorana bound states and quantum dots.
Zheng JH, Yao DX, Wang Z. Zheng JH, et al. Beilstein J Nanotechnol. 2018 May 22;9:1527-1535. doi: 10.3762/bjnano.9.143. eCollection 2018. Beilstein J Nanotechnol. 2018. PMID: 29977685 Free PMC article.
The resulting Rabi oscillating frequencies from these two different resonant driving energies are identical for the Majorana bound states, while different for ordinary Andreev bound states. ...Conclusion: Our method can be used to distinguish between Majorana …
The resulting Rabi oscillating frequencies from these two different resonant driving energies are identical for the Majorana bound
Friedel Oscillations of Vortex Bound States under Extreme Quantum Limit in KCa_{2}Fe_{4}As_{4}F_{2}.
Chen X, Duan W, Fan X, Hong W, Chen K, Yang H, Li S, Luo H, Wen HH. Chen X, et al. Phys Rev Lett. 2021 Jun 25;126(25):257002. doi: 10.1103/PhysRevLett.126.257002. Phys Rev Lett. 2021. PMID: 34241500
The observed Friedel oscillations of the bound states can also be roughly interpreted by the theoretical calculations, however some features at high energies could not be explained. We attribute this discrepancy to the high energy bound states with the …
The observed Friedel oscillations of the bound states can also be roughly interpreted by the theoretical calculations, however some f …
26,709 results
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