Rational Design of Efficient Organic Phototherapeutic Agents via Perturbation Theory for Enhancing Anticancer Therapeutics
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DOI: 10.1002/cmdc.201900302
Abstract: The development of efficient phototherapeutic agents (PTA) through rational and specific principles exhibits great potential to the biomedical field. In this study, a facile and rational strategy was used to design PTA through perturbation theory.… read more here.
Keywords: rational design; phototherapeutic agents; design; perturbation theory ... See more keywords
Initial excited‐state relaxation of locked retinal protonated schiff base chromophore. An insight from coupled cluster and multireference perturbation theory calculations
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25346
Abstract: The initial S1 excited‐state relaxation of retinal protonated Schiff base (RPSB) analog with central C11C12 double bond locked by eight‐membered ring (locked‐11.8) was investigated by means of multireference perturbation theory methods (XMCQDPT2, XMS‐CASPT2, MS‐CASPT2) as… read more here.
Keywords: state; excited state; relaxation; perturbation theory ... See more keywords
Perturbation Theory for Almost-Periodic Potentials I: One-Dimensional Case
Sign Up to like & getrecommendations! Published in 2019 at "Communications in Mathematical Physics"
DOI: 10.1007/s00220-019-03329-3
Abstract: We consider the family of operators $${H^{(\varepsilon)}:=-\frac{d^2}{dx^2}+\varepsilon V}$$H(ε):=-d2dx2+εV in $${\mathbb{R}}$$R with almost-periodic potential V. We study the behaviour of the integrated density of states (IDS) $${N(H^{(\varepsilon)};\lambda)}$$N(H(ε);λ) when $${\varepsilon\to 0}$$ε→0 and $${\lambda}$$λ is a fixed energy.… read more here.
Keywords: theory almost; varepsilon; perturbation theory; almost periodic ... See more keywords
On the use of the autonomous Birkhoff equations in Lie series perturbation theory
Sign Up to like & getrecommendations! Published in 2017 at "Celestial Mechanics and Dynamical Astronomy"
DOI: 10.1007/s10569-016-9720-1
Abstract: In this article, we present the Lie transformation algorithm for autonomous Birkhoff systems. Here, we are referring to Hamiltonian systems that obey a symplectic structure of the general form. The Birkhoff equations are derived from… read more here.
Keywords: use; perturbation theory; birkhoff equations; birkhoff ... See more keywords
Non-Hermitian time-dependent perturbation theory: Asymmetric transitions and transitionless interactions
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DOI: 10.1016/j.aop.2017.08.026
Abstract: Abstract The ordinary time-dependent perturbation theory of quantum mechanics, that describes the interaction of a stationary system with a time-dependent perturbation, predicts that the transition probabilities induced by the perturbation are symmetric with respect to… read more here.
Keywords: dependent perturbation; perturbation theory; time dependent; perturbation ... See more keywords
Assessing exchange-correlation functionals for elasticity and thermodynamics of α-ZrW2O8: A density functional perturbation theory study
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2018.03.025
Abstract: Abstract Elastic and thermodynamic properties of negative thermal expansion (NTE) α -ZrW 2 O 8 have been calculated using PBEsol and PBE exchange-correlation functionals within the framework of density functional perturbation theory (DFPT). Measured elastic… read more here.
Keywords: density functional; functional perturbation; thermodynamics; correlation functionals ... See more keywords
A doubly associated reference perturbation theory for water
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DOI: 10.1016/j.fluid.2019.112252
Abstract: In this work we develop a new classical perturbation theory for water which incorporates the transition to tetrahedral symmetry in both the dispersion and hydrogen bonding contributions to the free energy. This transition is calculated… read more here.
Keywords: reference; theory; theory water; perturbation theory ... See more keywords
Perturbation theory and optical soliton cooling with anti-cubic nonlinearity
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DOI: 10.1016/j.ijleo.2017.05.060
Abstract: Abstract Soliton perturbation theory is applied to obtain the adiabatic variation of its parameters and slow change in velocity. The dynamical system leads to a stable fixed point to which the soliton amplitude and frequency… read more here.
Keywords: soliton; anti cubic; cubic nonlinearity; perturbation theory ... See more keywords
Intensity dependent refraction and absorption in doped graphene by perturbation theory
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DOI: 10.1016/j.ijleo.2017.12.042
Abstract: Abstract The previous studies on graphene were primarily focused on the effect of photon energy to optical nonlinearities but less on that of doping. By the perturbative treatment of external field, we theoretically illustrate the… read more here.
Keywords: absorption; energy; doped graphene; perturbation theory ... See more keywords
Application of Karpman-Maslov-Solov’ev soliton perturbation theory to systems with distributed gain or losses
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DOI: 10.1016/j.ijleo.2018.11.137
Abstract: Abstract We analyze the most important ideas of the Karpman-Maslov-Solov’ev soliton perturbation theory, and based on it, we solve analytically the long-standing problem of the Schrodinger soliton interactions in the systems with distributed losses or… read more here.
Keywords: karpman maslov; perturbation theory; soliton; solov soliton ... See more keywords
A new approach to the stabilization and convergence acceleration in coupled Monte Carlo–CFD calculations: The Newton method via Monte Carlo perturbation theory
Sign Up to like & getrecommendations! Published in 2017 at "Nuclear Engineering and Technology"
DOI: 10.1016/j.net.2017.08.005
Abstract: Abstract This paper proposes the adoption of Monte Carlo perturbation theory to approximate the Jacobian matrix of coupled neutronics/thermal-hydraulics problems. The projected Jacobian is obtained from the eigenvalue decomposition of the fission matrix, and it… read more here.
Keywords: monte; monte carlo; perturbation theory; newton method ... See more keywords