(Q57526324)

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Time-dependent density-functional theory for molecular photoionization with noniterative algorithm and multicenter B-spline basis set: CS2 and C6H6 case studies

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Time-dependent density-functional theory for molecular photoionization with noniterative algorithm and multicenter B-spline basis set: CS2 and C6H6 case studies (English)

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object named as

M. Stener

1

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3

object named as

P. Decleva

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author name string

G. Fronzoni

2

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language of work or name

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publication date

15 June 2005

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Journal of Chemical Physics

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122

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23

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234301

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Self-Consistent Equations Including Exchange and Correlation Effects

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https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Density-Functional Theory for Time-Dependent Systems

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https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Time-dependent density functional calculations of molecular photoionization cross sections: N2 and PH3

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Valence photoionization of C6H6 by the B-spline one-centre expansion density functional method

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Density functional calculations of valence and core photoionization of C6H6 with an exchange-correlation potential with the correct asymptotic behaviour

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Density functional calculations of photoionization with an exchange-correlation potential with the correct asymptotic behaviour

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Convergence of the multicenter B-spline DFT approach for the continuum

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

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Photoionization of [(η-C[sub 6]H[sub 6])[sub 2]Cr] with the explicit continuum B-spline density-functional method

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

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Theoretical study of the valence and core photoemission spectra of C60

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Time dependent density functional photoionization of CH4, NH3, H2O and HF

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Dramatic response effects in the photoionization of the second-row hydrides: A time-dependent density functional investigation

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Time-dependent density-functional theory

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Dipole (e,e) spectroscopic studies of benzene: quantitative photoabsorption in the UV, VUV and soft X-ray regions

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

Dipole (e,e+ion) spectroscopic studies of benzene: absolute oscillator strengths for molecular and dissociative photoionization in the VUV and soft X-ray regions

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

A least squares multicenter approach to continuum wave functions

1 reference

https://api.crossref.org/works/10.1063%2F1.1937367

21 January 2018

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10.1063/1.1937367

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