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°è»êÈÇÐ(Analyzing Electronic structure of small Organic Molecules using PySCF) / 1. Title 2. Purpose 3. Result 1) benzene 2) Propadiene 4. Discussion / 1. Title °è»êÈÇÐÀº ºÐÀÚÀÇ ÀüÀÚ ±¸Á¶¸¦ ÀÌÇØÇÏ°í ¿¹ÃøÇϱâ À§ÇÑ °·ÂÇÑ µµ±¸·Î ÀÚ¸®Àâ°í ÀÖÀ¸¸ç, ƯÈ÷ À¯±â ºÐÀÚ¿¡ ´ëÇÑ ¿¬±¸¿¡¼ ±× Á߿伺ÀÌ ´õ¿í ºÎ°¢µÈ´Ù. PySCF(Python for Strongly Correlated Electro¡¦ |
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