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

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Review

2017

Review

2017

- Vladislav Ganine, Mathias Legrand, Hannah Michalska, Christophe Pierre
- 2017

In this paper, the Static Mode Compensation method to predict geometrical mistuning effects on the response of bladed disks is… (More)

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2012

2012

The problem of computing a p-dimensional invariant subspace of a symmetric positivedefinite matrix pencil of dimension n is… (More)

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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)

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2011

2011

- Sen Lin, Daiqian Xie
- Journal of Computational Chemistry
- 2011

New ab initio potential energy surfaces for the ground (X̃1A') and excited (Ã1A″) electronic states of HSiCl were obtained by… (More)

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2011

2011

- Le Yu, Wensheng Bian
- Journal of Computational Chemistry
- 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)

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2005

2005

We propose a Jacobi–Davidson type technique to compute selected eigenpairs of the product eigenvalue problem Am · · ·A1x = λx… (More)

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2004

2004

- Lingchun Song, Wei Wu, Qianer Zhang, Sason Shaik
- Journal of Computational Chemistry
- 2004

The previously developed valence bond configuration interaction (VBCI) method (Wu, W.; Song, L.; Cao, Z.; Zhang, Q.; Shaik, S., J… (More)

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2003

2003

The Jacobi–Davidson (JD) algorithm was recently proposed for evaluating a number of the eigenvalues of a matrix. JD goes beyond… (More)

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2003

2003

- Henryk A. Witek, Haruyuki Nakano, Kimihiko Hirao
- Journal of Computational Chemistry
- 2003

The second-order multireference perturbation theory using an optimized partitioning, denoted as MROPT(2), is applied to… (More)

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1999

1999

- Hongzhi Zhang, Jörg Senekowitsch, Robert E. Wyatt
- 1999

We report spectroscopic constants and anharmonic force fields for the HOCl and DOCl molecules in the gas phase, calculated from… (More)

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