Note on the choice of basis set in density functional theory calculations for electronic structures of molecules (test on the atoms from the first three rows of the periodic table (2 ⩽ N ⩽ Z ⩽ 18), water, ammonia and pyrrole)

✍ Scribed by Sándor Kristyán

• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 808 KB
• Volume: 247
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(95)01197-3