'Tddft' presentation slideshows

Tddft - PowerPoint PPT Presentation

M. Stener

M. Stener

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702 views • 49 slides
M. Stener

M. Stener

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507 views • 49 slides
Optical absorption spectra of chromophores in solution: the role of the solvent

Optical absorption spectra of chromophores in solution: the role of the solvent

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638 views • 45 slides
ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it

ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it

ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it. Outline. Relativistic effects TDDFT electronic excitations Valence electrons Core electrons Spin orbit coupling Exchange-correlation energy functionals E XC. Relativistic effects.

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447 views • 27 slides
ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it

ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it

ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it. Outline. Relativistic effects TDDFT electronic excitations Valence electrons Core electrons Spin orbit coupling Exchange-correlation energy functionals E XC. Relativistic effects.

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395 views • 27 slides
ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it

ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it

ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it. Outline. Relativistic effects TDDFT electronic excitations Valence electrons Core electrons Spin orbit coupling Exchange-correlation energy functionals E XC. Relativistic effects.

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379 views • 27 slides
ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it

ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it

ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University) stener@univ.trieste.it. Outline. Relativistic effects TDDFT electronic excitations Valence electrons Core electrons Spin orbit coupling Exchange-correlation energy functionals E XC. Relativistic effects.

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398 views • 27 slides
Real Time TDDFT

Real Time TDDFT

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924 views • 20 slides
Migration to GT4

Migration to GT4

Migration to GT4. AIST has done the migration. AIST has released Ninf-G4 invoke remote processes via WS GRAM as well as Pre-WS GRAM Yusuke ran TDDFT using Ninf-G4. Inconsistency of jobmanager-sge v.s. jobmananager-pbs. jobmanager-sge jobtype=single, count>1

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100 views • 3 slides

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