Browsing by Subject "Anàlisi d'error (Matemàtica)"

How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?

Error and complexity of random walk Monte Carlo radiosity

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Effect of basis set superposition error on the electron density of molecular complexes

A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components

Counterpoise-corrected geometries and harmonic frequencies of N-body clusters: application to (HF)n (n=3,4)

Second-order Møller-Plesset perturbation theory without basis set superposition error: II: open-shell systems

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Simultaneous estimation of indirect and interaction effects using structural equation models

Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization

Selected configuration interaction with truncation energy error and application to the Ne atom

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Correcting Measurement Error Bias in Interaction Models with Small Samples

Moderating effects of management control systems and innovation on performance. Simple methods for correcting the effects of measurement error for interaction effects in small samples

A basis set superposition error-free second-order perturbation theory from Hermitian chemical Hamiltonian approach self-consistent field canonic orbitals

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