Keywords: تئوری خوشه ترکیبی; Slater-type geminals; Coupled-cluster theory; Ring diagrams; Exchange diagrams; Random-phase approximation; Symmetry-adapted perturbation theory; Dispersion interaction;
مقالات ISI تئوری خوشه ترکیبی (ترجمه نشده)
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Keywords: تئوری خوشه ترکیبی; Ab initio nuclear structure theory; Chiral effective field theory; Coupled-cluster theory; Heavy nuclei
Keywords: تئوری خوشه ترکیبی; Noncovalent interactions; Coupled-cluster theory; Basis-set limit; Explicitly-correlated wavefunctions; Double-hybrid density functionals; Random-phase approximation;
Keywords: تئوری خوشه ترکیبی; Photoelectron spectroscopy; Franck-Condon factor; Density functional theory; Coupled-cluster theory; Thiocarbonyl fluoride;
Keywords: تئوری خوشه ترکیبی; Coupled-cluster theory; Equation-of-motion coupled-cluster methods; Completely renormalized equation-of-motion coupled-cluster approaches; Excited electronic states; Potential energy surfaces; Water dissociation;
Theoretical investigation of the spectroscopic constants for the ground-state diatomic species Cu2, Ag2, and Au2
Keywords: تئوری خوشه ترکیبی; Two-component pseudo-potential; Coupled-cluster theory; Spin-orbit interaction; IB homonuclear dimer; Spectroscopic constants;
RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN
Keywords: تئوری خوشه ترکیبی; Coupled-cluster theory; Dirac-Coulomb Hamiltonian; Correlation energy; Closed-shell and one-valence systems; Relativistic coupled-cluster theory; Coupled-cluster singles and Doubles approximation;
Structural properties of high-energy N12C6 molecules: Cyclic hexamers of NCN
Keywords: تئوری خوشه ترکیبی; Energetic molecules; Nitrogen; Density functional theory; Coupled-cluster theory;
Theoretical rovibrational spectroscopy of NO2+
Keywords: تئوری خوشه ترکیبی; NO2+; Coupled-cluster theory; Multi-reference methods; Rovibrational states; Effective spectroscopic constants; Isotopic shifts;
Rovibrational states of HBF+ isotopologues: Theory and experiment
Keywords: تئوری خوشه ترکیبی; HBF+; Coupled-cluster theory; Potential energy function; Rovibrational transitions; Line intensities; Difference-frequency laser spectroscopy;
Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ + H2 â Fe+ + H2O
Keywords: تئوری خوشه ترکیبی; Coupled-cluster theory; Spin-forbidden reactions; Ion-molecule reactions; Non-adiabatic rate theory;
Theoretical study on the ground electronic state of SCl+ and SClâ
Keywords: تئوری خوشه ترکیبی; Coupled-cluster theory; Potential energy curve; Spectroscopic parameter; Electron affinity; Ionization potential; Vibrational energy level;
Calculation of the two-electron Darwin term using explicitly correlated wave functions
Keywords: تئوری خوشه ترکیبی; Two-electron Darwin term; Explicitly correlated wave functions; Perturbation theory; Coupled-cluster theory; Interference correction; Basis-set extrapolation;
The coupled cluster approach with a hybrid treatment of connected triple excitations: Spectroscopic constants in open-shell diatomic molecules, and bond-breaking or twisting potential energy surfaces
Keywords: تئوری خوشه ترکیبی; Coupled-cluster theory; Active orbital; Open-shell molecules; Potential energy surface; Multireference;
Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods
Keywords: تئوری خوشه ترکیبی; Coupled-cluster theory; Method of moments of coupled-cluster equations; Active-space coupled-cluster methods; Completely renormalized coupled-cluster methods; Bond breaking;
Center-of-mass problem in truncated configuration interaction and coupled-cluster calculations
Keywords: تئوری خوشه ترکیبی; 21.60.De; 21.60.Cs; 02.70.-c; Ab initio nuclear structure; Configuration interaction; Coupled-cluster theory; Center-of-mass contamination;
Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory
Keywords: تئوری خوشه ترکیبی; Thermochemistry; Atomization energy; Coupled-cluster theory; Explicitly-correlated theory;
Accurate ab initio computation of thermochemical data for C3Hx(x=0,â¦,4) species
Keywords: تئوری خوشه ترکیبی; Thermochemistry; Hydrocarbons; Radicals; Carbenes; Coupled-cluster theory;
Coupled-cluster theory and the method of moments
Keywords: تئوری خوشه ترکیبی; Coupled-cluster theory; Method of moments; Multiple bond dissociation;
Non-iterative coupled-cluster methods employing multi-reference perturbation theory wave functions
Keywords: تئوری خوشه ترکیبی; 31.10.+z; 31.15.Ar; 31.15.Dv; 31.15.Md; 31.25.âv; 31.50.+w; Coupled-cluster theory; Equation-of-motion coupled-cluster methods; Method of moments of coupled-cluster equations; Multi-reference perturbation theory; Non-iterative coupled-cluster methods;