Davidson correction

The Davidson correction is an energy correction often applied in calculations using the method of truncated configuration interaction, which is one… (More)
Wikipedia

Topic mentions per year

Topic mentions per year

1999-2017
012319992017

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Review
2017
Review
2017
In this paper, the Static Mode Compensation method to predict geometrical mistuning effects on the response of bladed disks is… (More)
Is this relevant?
2012
2012
The problem of computing a p-dimensional invariant subspace of a symmetric positivedefinite matrix pencil of dimension n is… (More)
Is this relevant?
2012
2012
For the 15 lanthanide atoms 57La through 71Lu, we report Sapporo-DK-nZP sets (n = D, T, Q), which are natural extensions of the… (More)
  • table 1
  • table 2
  • table 3
  • table 4
  • table 5
Is this relevant?
2011
2011
New ab initio potential energy surfaces for the ground (X̃1A') and excited (Ã1A″) electronic states of HSiCl were obtained by… (More)
  • table 1
  • figure 1
  • figure 2
  • figure 3
  • table 2
Is this relevant?
2011
2011
The potential energy curves of the 69 Ω states generated from the 24 Λ-S states of sulfur monoxide are calculated for the first… (More)
  • figure 1
  • table 1
  • figure 2
  • table 2
  • table 3
Is this relevant?
2005
2005
We propose a Jacobi–Davidson type technique to compute selected eigenpairs of the product eigenvalue problem Am · · ·A1x = λx… (More)
Is this relevant?
2004
2004
The previously developed valence bond configuration interaction (VBCI) method (Wu, W.; Song, L.; Cao, Z.; Zhang, Q.; Shaik, S., J… (More)
Is this relevant?
2003
2003
The Jacobi–Davidson (JD) algorithm was recently proposed for evaluating a number of the eigenvalues of a matrix. JD goes beyond… (More)
  • table 1
  • table 2
  • table 3
  • table 4
  • table 5
Is this relevant?
2003
2003
The second-order multireference perturbation theory using an optimized partitioning, denoted as MROPT(2), is applied to… (More)
  • table 1
  • table 2
  • table 3
  • table 3
  • table 4
Is this relevant?
1999
1999
We report spectroscopic constants and anharmonic force fields for the HOCl and DOCl molecules in the gas phase, calculated from… (More)
  • table I
  • table III
  • table IV
  • table V
Is this relevant?