Abstract: Ｂａｓｅｄｏｎｔｈｅｆｕｌｌｐｏｔｅｎｔｉａｌｌｉｎｅａｒｉｚｅｄｐｌａｎｅｗａｖｅｍｅｔｈｏｄｏｆｆｉｒｓｔｐｒｉｎｃｉｐｌｅ，ｔｈｅｃａｌｃｕｌａｔｉｏｎｓｏｆｔｈｅｔｏｔａｌ ｅｎｅｒｇｙａｎｄｔｈｅｅｑｕｉｌｉｂｒｉｕｍｌａｔｔｉｃｅｃｏｎｓｔａｎｔｆｏｒｔｈｅｂｏｄｙｃｅｎｔｅｒｅｄｃｕｂｉｃ（ｂｃｃ）ＰｂＳｃｏｍｐｏｕｎｄｈａｖｅｂｅｅｎｐｅｒｆｏｒｍｅｄ ｗｉｔｈｉｎｄｉｆｆｅｒｅｎｔｅｘｃｈａｎｇｅｃｏｒｒｅｌａｔｉｏｎｐｏｔｅｎｔｉａｌｓ（ＤＥＣＰ）ｏｎｂｏｔｈｔｈｅｇｅｎｅｒａｌｉｚｅｄｇｒａｄｉｅｎｔａｐｐｒｏｘｉｍａｔｉｏｎ（ＧＧＡ）ａｎｄ ｔｈｅｌｏｃａｌｄｅｎｓｉｔｙａｐｐｒｏｘｉｍａｔｉｏｎ（ＬＤＡ）．ＴｈｅｅｆｆｅｃｔｏｆＤＥＣＰｏｎｔｈｅｂａｎｄｓｔｒｕｃｔｕｒｅ，ｔｈｅｄｅｎｓｉｔｙｏｆｓｔａｔｅｓ，ｔｈｅｐａｒｔｉａｌ ｄｅｎｓｉｔｙｏｆｓｔａｔｅｓａｎｄｔｈｅｂａｎｄｇａｐａｒｅｄｉｓｃｕｓｓｅｄ，ｒｅｓｐｅｃｔｉｖｅｌｙ．Ｔｈｅｅｎｅｒｇｙｃａｌｃｕｌａｔｉｏｎｓｈｏｗｓｔｈａｔｔｈｅｆａｃｅｃｅｎｔｅｒｅｄ ｃｕｂｉｃｓｔｒｕｃｔｕｒｅｉｓｆｏｕｎｄｔｏｂｅｔｈｅｍｏｒｅｓｔａｂｌｅｏｎｅｔｈａｎｔｈａｔｏｆｔｈｅｂｃｃｓｔｒｕｃｔｕｒｅ．Ｉｎａｄｄｉｔｉｏｎ，ｂａｎｄｓｔｒｕｃｔｕｒｅ ｃａｌｃｕｌａｔｉｏｎｓｉｎｔｈｅｂｃｃｓｔｒｕｃｔｕｒｅｓｈｏｗａｂａｎｄｇａｐｅｘｉｓｔｅｎｃｅ，ｗｈｉｃｈａｇｒｅｅｓｗｅｌｌｗｉｔｈｅｘｐｅｒｉｍｅｎｔａｌｒｅｓｕｌｔｓｏｆｏｔｈｅｒＰｂ ｃｈａｌｃｏｇｅｎｉｄｅｃｏｍｐｏｕｎｄ（ＰｂＴｅ）．ＴｈｅａｂｏｖｅｒｅｓｕｌｔｏｆＰｂＳ（ｂｃｃ）ｉｓｈｅｌｐｆｕｌｔｏｔｈｅｅｘｐｅｒｉｍｅｎｔａｌｓｔｕｄｙｉｎｔｈｅｆｕｔｕｒｅ．

Key words: ｅｘｃｈａｎｇｅｃｏｒｒｅｌａｔｉｏｎｐｏｔｅｎｔｉａｌ, ｄｅｎｓｉｔｙｏｆｓｔａｔｅ, ｂａｎｄｓｔｒｕｃｔｕｒｅ, ＰｂＳ