Solution of Lagrange's equation of motion form the first principle for volumetric modulated arc therapy delivery
Sign Up to like & getrecommendations! Published in 2021 at "Health and Technology"
DOI: 10.1007/s12553-021-00545-7
Abstract: To calculate the Lagrange’s equation of motion from first principle for volumetric modulated arc therapy delivery. The delivery of volumetric modulated arc therapy (VMAT) is based on a rotational co-ordinate system. This delivery technique differs… read more here.
Keywords: lagrange equation; delivery; arc therapy; equation motion ... See more keywords
On the validity of peridynamic equation of motion in variable horizon domains
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Mechanical Sciences"
DOI: 10.1016/j.ijmecsci.2020.106245
Abstract: Abstract Peridynamics is a nonlocal theory of solid mechanics which is suitable for modeling discontinuities and fractures without requiring external theories. In the original peridynamic equation of motion, the internal forces are integrated over the… read more here.
Keywords: family; horizon; equation; peridynamic equation ... See more keywords
Equation-of-Motion Methods for the Calculation of Femtosecond Time-Resolved 4-Wave-Mixing and N-Wave-Mixing Signals.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical reviews"
DOI: 10.1021/acs.chemrev.2c00329
Abstract: Femtosecond nonlinear spectroscopy is the main tool for the time-resolved detection of photophysical and photochemical processes. Since most systems of chemical interest are rather complex, theoretical support is indispensable for the extraction of the intrinsic… read more here.
Keywords: time; equation motion; mixing wave; spectroscopic signals ... See more keywords
Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.0c00707
Abstract: We present an implementation of equation-of-motion oscillator strengths for the multilevel CCSD (MLCCSD) model where CCS is used as the lower level method (CCS/CCSD). In this model, the double excitations of the cluster operator are… read more here.
Keywords: oscillator strengths; core; mlccsd ccsd; core excitations ... See more keywords
Decay Processes in Cationic Alkali Metals in Microsolvated Clusters: A Complex Absorbing Potential Based Equation-of-Motion Coupled Cluster Investigation.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c01036
Abstract: We have employed the highly accurate complex absorbing potential based ionization potential equation-of-motion coupled cluster singles and doubles (CAP-IP-EOM-CCSD) method to study the various intermolecular decay processes in ionized metals (Li+, Na+, K+) microsolvated by… read more here.
Keywords: potential based; absorbing potential; decay processes; equation motion ... See more keywords
Real-Time Equation-of-Motion CCSD Cumulant Green's Function.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c01179
Abstract: Many-body excitations in X-ray photoemission spectra have been difficult to simulate from first principles. We have recently developed a cumulant-based one-electron Green's function method using the real-time coupled-cluster-singles equation-of-motion approach (RT-EOM-CCS) that provides a general… read more here.
Keywords: function; green function; equation motion; cumulant ... See more keywords
Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.2c00164
Abstract: We present an efficient implementation of the equation of motion oscillator strengths for the closed-shell multilevel coupled cluster singles and doubles with perturbative triples method (MLCC3) in the electronic structure program eT. The orbital space… read more here.
Keywords: equation motion; oscillator strengths; multilevel;
Multireference Equation-of-Motion-Driven Similarity Renormalization Group for X-ray Photoelectron Spectra.
Sign Up to like & getrecommendations! Published in 2025 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.5c01616
Abstract: We formulate and implement the core-valence separated multireference equation-of-motion-driven similarity renormalization group method (CVS-IP-EOM-DSRG) for simulating X-ray photoelectron spectra (XPS) of strongly correlated molecular systems. This method is numerically robust and computationally efficient, delivering accurate… read more here.
Keywords: dsrg; equation motion; driven similarity; multireference equation ... See more keywords
Quantum-embedded equation-of-motion coupled-cluster approach to single-atom magnets on surfaces
Sign Up to like & getrecommendations! Published in 2025 at "Physical Chemistry Chemical Physics"
DOI: 10.1039/d5cp01059d
Abstract: We investigate electronic states and magnetic properties of transition-metal atoms on surfaces using projection-based density embedding that combines equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) theory with density functional theory (DFT). As a case study, we… read more here.
Keywords: equation motion; anisotropy; coupled cluster; single atom ... See more keywords
Simplified dynamics model of a sphere decelerating freely in a fluid
Sign Up to like & getrecommendations! Published in 2024 at "Physics of Fluids"
DOI: 10.1063/5.0187705
Abstract: An experimental/theoretical study has been presented on the problem of the dynamic equation of motion of a close to neutral buoyancy sphere (0.04 m in diameter) decelerating freely in water after an impulsive start. It has… read more here.
Keywords: decelerating freely; equation motion; dynamics model; model ... See more keywords
Accelerating convergence of equation-of-motion coupled-cluster computations using the semi-stochastic CC(P;Q) formalism
Sign Up to like & getrecommendations! Published in 2020 at "Molecular Physics"
DOI: 10.1080/00268976.2020.1817592
Abstract: The recently proposed approach to excited electronic states, in which the deterministic equation-of-motion coupled-cluster (EOMCC) framework is merged with stochastic configuration interaction Quantum Monte Carlo (CIQMC) computations [J.E. Deustua et al., J. Chem. Phys. 150,… read more here.
Keywords: motion coupled; coupled cluster; semi stochastic; equation motion ... See more keywords