Search engine for discovering works of Art, research articles, and books related to Art and Culture
Javascript must be enabled to continue!
Some comments on the counterpoise correction for the basis set superposition error at the correlated level
View through CrossRef
AbstractThe use of the counterpoise method for the mitigation of basis set superposition error at the correlated level is discussed. Evidence is presented to show that the ghost basis plays a dual role in the counterpoise method: The orbitals of the system are improved by the ghost basis but at the expense of a nonphysical increase in the dimension of the virtual space. This second factor has no effect on application of the counterpoise method at the SCF level but it makes the use of the counterpoise method at the correlated level much less straightforward. © 1993 John Wiley & Sons, Inc.
Title: Some comments on the counterpoise correction for the basis set superposition error at the correlated level
Description:
AbstractThe use of the counterpoise method for the mitigation of basis set superposition error at the correlated level is discussed.
Evidence is presented to show that the ghost basis plays a dual role in the counterpoise method: The orbitals of the system are improved by the ghost basis but at the expense of a nonphysical increase in the dimension of the virtual space.
This second factor has no effect on application of the counterpoise method at the SCF level but it makes the use of the counterpoise method at the correlated level much less straightforward.
© 1993 John Wiley & Sons, Inc.
Related Results
Bias in Rate-Transient Analysis Methods: Shale Gas Wells
Bias in Rate-Transient Analysis Methods: Shale Gas Wells
Abstract
Superposition-time functions offer an effective way for handling variable-rate data. However, these functions can also be biased and misleading. The superpo...
Deep Learning Phase Error Correction for Cerebrovascular 4D Flow MRI
Deep Learning Phase Error Correction for Cerebrovascular 4D Flow MRI
Abstract
Background and Purpose
Background phase errors in 4D Flow MRI may negatively impact blood flow quantification. In this study, we assessed their impact on cerebrov...
Deep learning phase error correction for cerebrovascular 4D flow MRI
Deep learning phase error correction for cerebrovascular 4D flow MRI
Abstract
Background phase errors in 4D Flow MRI may negatively impact blood flow quantification. In this study, we assessed their impact on c...
Orthogonal superposition of oscillatory shearing upon steady shear flow from polymer rotarance theory: normal stresses
Orthogonal superposition of oscillatory shearing upon steady shear flow from polymer rotarance theory: normal stresses
Abstract
One of the most intriguing experiments in polymer physics, is the superposition of small shearing oscillations upon steady shear flo...
NICU Medication Errors: Describing the Cause and Nature of Medication Errors in a NICU in Qatar
NICU Medication Errors: Describing the Cause and Nature of Medication Errors in a NICU in Qatar
IntroductionA medication error can be defined as “any error occurring in the medication use process” and focuses on problems with the delivery of medication to a patient [1]. Medic...
A new tropospheric error model for ground-based GNSS interferometric reflectometry: theory and validation
A new tropospheric error model for ground-based GNSS interferometric reflectometry: theory and validation
We deduce a new tropospheric error model for ground-based GNSS inter-ferometric reflectometry (GNSS-IR), the NITE (New Interferometric Tropo-spheric Error) model. This model contai...
Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes
Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes
Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a n...
Long-read error correction: a survey and qualitative comparison
Long-read error correction: a survey and qualitative comparison
Abstract
Third generation sequencing technologies Pacific Biosciences and Oxford Nanopore Technologies were respectively made available in 2011 and 2014. In contras...