Energies of condensed phase systems containing thousands of explicitly correlated electrons and 1500 atoms can now be computed in minutes and less than 1 h, respectively.
A method of calculation of long-range dispersion C6 coefficients with wavefunctions, corresponding to linearly approximated explicitly correlated coupled-cluster singles and doubles [CCSD F12)] model, has been developed.
The stress states generated in the constituent fiber and matrix materials are explicitly correlated with the overall applied load on the composites.
In a paper by Frolov [41] using the approach of explicitly correlated exponential basis functions has studied the properties of some atomic and molecular three-body ions which contain positively charged muons ((mu ^)).
Standard redox potentials for the environmentally relevant species, participating in the studied reactions, were accurately computed employing the explicitly correlated CCSD(T -F12 meT -F12hat provides an imethodd C-Cl bond energy, of essenthat improvides to the dissocianimprovedntials.
This explicitly correlates neighboring probes on a segment with similar copy-number and approximates structural changes in the genome.
People with eating disorders (ED) often report poor health-related quality of life (HRQoL), which is explicitly correlated to illness' severity and its effects on cognitive performance.
Indeed, people with ED often report poor HRQoL [ 6], which is explicitly correlated to illness' severity and its effects on cognitive performance [ 7, 8].
This relatively simple, albeit fraught with meaning, goal gave us the opportunity to develop a robust and validated experimental workflow, paving the way for future studies, whose goal will be the identification of gene fingerprints explicitly correlated to clinical parameters.
Benchmark quality geometries and interaction energies for the prereactive halogen-bonded complexes of dihalogens and ammonia, including hypothetical astatine containing dihalogens, have been produced via explicitly correlated coupled cluster methods.
