What is the difference between DFT and TD-DFT in Gaussian 09 software?

AI Thread Summary
The discussion centers on the differences between Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) as implemented in Gaussian 09 software. DFT is primarily used for calculating the ground state properties of many-body systems, while TD-DFT extends this framework to study excited states and is particularly useful for analyzing electronic absorption spectra. The need for TD-DFT arises from its ability to account for the time-dependent behavior of electrons, making it essential for understanding phenomena such as light absorption and electronic transitions in molecules. The conversation also includes a request for clarification on terminology, emphasizing the importance of defining concepts clearly in discussions about computational chemistry methods.
EL AALLAOUI Najla
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Homework Statement:: difference between DFT and TDDFT in Gaussian 09 software?
Relevant Equations:: hello , I hope this message finds you well

Please I want to know what is the difference between DFT and time‐dependent density functional theory TD-DFT and why we use it in the measurement of electronic absorption spectra .
Thank you in advance

hello , I hope this message finds you well

Please I want to know what is the difference between DFT and time‐dependent density functional theory TD-DFT and why we use it in the measurement of electronic absorption spectra .
Thank you in advance
 
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Please define your terms...

EL AALLAOUI Najla said:
Please I want to know what is the difference between DFT and time‐dependent density functional theory TD-DFT and why we use it in the measurement of electronic absorption spectra .
Discrete Fourier Transform? Please link to the reading you have been doing for this question. Thanks.
 
berkeman said:
Please define your terms...Discrete Fourier Transform? Please link to the reading you have been doing for this question. Thanks.
No, Density Functional Theory :smile:
 
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