Keywords: خوشه ترکیبی; AC; alternating current or asymptotically correct; ADF; Amsterdam density functional; AM1; Austin model 1 semi-empirical method; au; atomic units; BBO; β-barium borate; CC; coupled-cluster; CHF; coupled Hartree-Fock; CI; configuration interaction; CNDO
مقالات ISI خوشه ترکیبی (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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Keywords: خوشه ترکیبی; Coupled-cluster; Tensor contractions; Matrix multiplication; Topology-aware mapping; Communication-avoiding algorithms;
Density functional and ab initio investigation of S2N2 and (SN)2
Keywords: خوشه ترکیبی; Density functional theory; Coupled-cluster; Multireference configuration interaction; Multiconfigurational perturbation theory; Poly sulfur nitride;
On carbon dioxide capture: An accurate ab initio study of the Li3NÂ +Â CO2 insertion reaction
Keywords: خوشه ترکیبی; Carbon dioxide capture; Lithium nitride; Møller-Plesset perturbation theory; Coupled-cluster; Density functional theory;
Superior performance of Mukherjee's state-specific multi-reference coupled-cluster theory at the singles and doubles truncation scheme with localized active orbitals
Keywords: خوشه ترکیبی; State-specific; Multi-reference; Coupled-cluster; Localized orbitals;
Wavefunction quality of single- and multi-reference coupled-cluster and configuration interaction methods: The P4 and H8 model systems
Keywords: خوشه ترکیبی; Multi-reference; Coupled-cluster; Dissocitation; Wavefunction quality; Variance;
The geminal basis in explicitly correlated wave functions
Keywords: خوشه ترکیبی; Explicit-correlation; Geminal basis set; Correlation factor; Correlation energy; Coupled-cluster;
Multi-reference coupled-cluster study of the potential energy surface of the hydrogen fluoride dissociation including excited states
Keywords: خوشه ترکیبی; Coupled-cluster; Multi-reference; State selective; Electronic structure;
On the concepts of connectivity, separability, and consistency: An illustration by partitioned diagrams and numerical probing
Keywords: خوشه ترکیبی; 31.15.Dv; Coupled-cluster; Multi-reference; State selective; Electronic structure; MRexpT;
Short-range density functionals in combination with local long-range ab initio methods: Application to non-bonded complexes
Keywords: خوشه ترکیبی; Spin density functional; Coupled-cluster; Short-range/long-range separation; Non-bonded complexes;
Constrained variational response to Fock-space multi-reference coupled-cluster theory: Some pilot applications
Keywords: خوشه ترکیبی; Multi-reference; Coupled-cluster; Constrained variation; Response; Dipole moment;
Coupled-cluster theory for bosons in rings and optical lattices
Keywords: خوشه ترکیبی; numbers: 03.75.Hh; 03.75.Kk; 03.65.âw; Coupled-cluster; Bosonic systems; Cold atoms; Optical lattices; Bosons in rings;
Large-scale electron correlation calculations in the framework of the spin-free dirac formalism: the Au2 molecule revisited
Keywords: خوشه ترکیبی; Gold dimer; Relativistic effects; Configuration interaction; Coupled-cluster; Spin-free Dirac Hamiltonian;
Ab initio potential energy surface for HeF2 in its ground electronic state
Keywords: خوشه ترکیبی; He-F2; Potential energy surface; Coupled-cluster; Configuration interaction;