Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340

Warning: preg_replace(): Compilation failed: invalid range in character class at offset 4 in /home/compchem/computational-chemistry.com/public_html/en/wp-content/plugins/crayon-syntax-highlighter/crayon_langs.class.php on line 340
Methods | Computational-Chemistry.com

Methods

Share This:

This is a database of each calculation method (HF, Møller-Plesset method, DFT functional etc.).

DFT (density functional method)

— Database of functional used in DFT calculation. We also give a detailed explanation of each functional.

Gaussian theory, G1, G2, G3, G4 _ Evaluation method of functional

— Calculation method based on non empirical molecular orbital method.

Møller-Plesset method

Semi-empirical approach

HF method

Coupled Cluster