{"id":379,"date":"2026-06-04T18:42:20","date_gmt":"2026-06-04T16:42:20","guid":{"rendered":"https:\/\/wellenfunktion.ch\/?page_id=379"},"modified":"2026-07-13T09:45:29","modified_gmt":"2026-07-13T07:45:29","slug":"product-2","status":"publish","type":"page","link":"https:\/\/wellenfunktion.ch\/?page_id=379&lang=ja","title":{"rendered":"Product"},"content":{"rendered":"<h2>ORBITAL \u2015 \u7523\u696d\u7528\u9014\u306b\u5411\u3051\u305f\u91cf\u5b50\u5316\u5b66\u89e3\u6790\u306e\u65b0\u305f\u306a\u30b9\u30bf\u30f3\u30c0\u30fc\u30c9<\/h2>\n<p><b>ORBITAL<\/b>\uff08Orbital and Bond Interaction Tool for Advanced Laboratories\uff09\u306f\u3001Wellenfunktion GmbH\u304c\u7523\u696d\u30e6\u30fc\u30b6\u30fc\u5411\u3051\u306b\u958b\u767a\u3057\u305f\u3001\u540c\u793e\u521d\u306e\u5546\u7528\u30bd\u30d5\u30c8\u30a6\u30a7\u30a2\u3067\u3059\u3002\u4e16\u754c\u7684\u306b\u77e5\u3089\u308c\u308b\u8a08\u7b97\u30d7\u30ed\u30b0\u30e9\u30e0LOBSTER\u306e\u5b9f\u7e3e\u3042\u308b\u6280\u8853\u57fa\u76e4\u3092\u7d99\u627f\u3057\u3064\u3064\u3001\u9577\u5e74\u306b\u308f\u305f\u308b\u91cf\u5b50\u5316\u5b66\u30b3\u30f3\u30b5\u30eb\u30c6\u30a3\u30f3\u30b0\u306e\u73fe\u5834\u7d4c\u9a13\u3092\u3082\u3068\u306b\u5927\u5e45\u306b\u6a5f\u80fd\u3092\u5f37\u5316\u3057\u307e\u3057\u305f\u3002\u5206\u5b50\u3001\u5468\u671f\u7cfb\u3001\u975e\u5468\u671f\u7cfb\u3092\u5bfe\u8c61\u3068\u3057\u305f\u3001\u9ad8\u7cbe\u5ea6\u306a\u91cf\u5b50\u5316\u5b66\u89e3\u6790\u306e\u305f\u3081\u306e\u5305\u62ec\u7684\u306a\u30c4\u30fc\u30eb\u3092\u63d0\u4f9b\u3057\u307e\u3059\u3002<b>ORBITAL<\/b>\u306f\u3001\u5e73\u9762\u6ce2\u57fa\u5e95\u306b\u3088\u308b\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306e\u7d50\u679c\u3092\u3001\u9ad8\u7cbe\u5ea6\u306a\u539f\u5b50\u4e2d\u5fc3\u57fa\u5e95\u95a2\u6570\u3078\u9ad8\u901f\u304b\u3064\u30e6\u30cb\u30bf\u30ea\u306b\u5909\u63db\u3057\u307e\u3059\u3002\u3053\u308c\u306b\u3088\u308a\u3001\u5e73\u9762\u6ce2\u8a08\u7b97\u306e\u7cbe\u5ea6\u3092\u7dad\u6301\u3057\u305f\u307e\u307e\u3001\u5316\u5b66\u7d50\u5408\u3084\u96fb\u5b50\u69cb\u9020\u3092\u3001\u7523\u696d\u7528\u9014\u306b\u6c42\u3081\u3089\u308c\u308b\u901f\u3055\u3068\u4fe1\u983c\u6027\u3067\u8a73\u7d30\u306b\u89e3\u6790\u3059\u308b\u3053\u3068\u304c\u53ef\u80fd\u306b\u306a\u308a\u307e\u3059\u3002<br \/>\n\u4e3b\u306a\u6a5f\u80fd:<\/p>\n<ul>\n<li>COHP, COBI, COOP\u3092\u7528\u3044\u305f\u660e\u77ad\u304b\u3064\u81ea\u52d5\u5316\u3055\u308c\u305f\u5316\u5b66\u7d50\u5408\u89e3\u6790<\/li>\n<li>\u96fb\u8377\u3092\u53d6\u308a\u9003\u3055\u306a\u3044\u9ad8\u7cbe\u5ea6\u306aDOS\u3001\u5c40\u6240DOS\u3001\u8ecc\u9053\u5360\u6709\u6570\u89e3\u6790 <\/li>\n<li>\u6ce2\u52d5\u95a2\u6570\u306b\u57fa\u3065\u304f\u3001\u9ad8\u901f\u304b\u3064\u4fe1\u983c\u6027\u306e\u9ad8\u3044Mulliken\u96fb\u8377\u304a\u3088\u3073L\u00f6wdin\u96fb\u8377\u89e3\u6790<\/li>\n<li>Madelung\u30a8\u30cd\u30eb\u30ae\u30fc \u306e\u81ea\u52d5\u8a08\u7b97<\/li>\n<li>\u6750\u6599\u7279\u6027\u306b\u5bc4\u4e0e\u3059\u308b\u8ecc\u9053\u3084\u5316\u5b66\u7d50\u5408\u3092\u53ef\u8996\u5316\u3059\u308b\u3001\u8ecc\u9053\u30fb\u7d50\u5408\u5c04\u5f71\u30d5\u30a1\u30c3\u30c8\u30d0\u30f3\u30c9\u89e3\u6790<\/li>\n<li>\u67d4\u8edf\u306a\u539f\u5b50\u57fa\u5e95\u306e\u8a2d\u5b9a\u3068\u8ecc\u9053\u56de\u8ee2 <\/li>\n<li>\u6a5f\u68b0\u51e6\u7406\u306b\u3082\u9069\u3057\u305f\u3001\u660e\u77ad\u3067\u8aad\u307f\u3084\u3059\u3044JSON\u5f62\u5f0f\u306e\u5165\u51fa\u529b <\/li>\n<li>\u8a08\u7b97\u6e96\u5099\u304b\u3089\u7d50\u679c\u306e\u89e3\u6790\u30fb\u53ef\u8996\u5316\u307e\u3067\u3092\u30b7\u30fc\u30e0\u30ec\u30b9\u306b\u884c\u3048\u308b\u76f4\u611f\u7684\u306aGUI<\/li>\n<li>LOBSTER\u3092\u5927\u304d\u304f\u4e0a\u56de\u308b\u8a08\u7b97\u6027\u80fd <\/li>\n<li>\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306e\u7cbe\u5ea6\u3092\u640d\u306a\u3046\u3053\u3068\u306a\u304f\u5f97\u3089\u308c\u308b\u3001\u76f4\u611f\u7684\u304b\u3064\u5316\u5b66\u7684\u306a\u7406\u89e3<\/li>\n<\/ul>\n<p>\n<b>ORBITAL<\/b>\u306f\u3001\u7523\u696d\u7528\u9014\u3092\u524d\u63d0\u3068\u3057\u3066\u8a2d\u8a08\u3055\u308c\u305f\u672c\u683c\u7684\u306a\u89e3\u6790\u30bd\u30ea\u30e5\u30fc\u30b7\u30e7\u30f3\u3067\u3059\u3002\u7528\u9014\u306b\u5fdc\u3058\u305f\u30ab\u30b9\u30bf\u30de\u30a4\u30ba\u306b\u3082\u5bfe\u5fdc\u3057\u3001LOBSTER\u304c\u5b66\u8853\u7814\u7a76\u3067\u57f9\u3063\u3066\u304d\u305f\u5f37\u307f\u3092\u3055\u3089\u306b\u767a\u5c55\u3055\u305b\u308b\u3053\u3068\u3067\u3001\u9ad8\u5ea6\u306a\u7523\u696d\u7814\u7a76\u958b\u767a\u306b\u5fc5\u8981\u3068\u3055\u308c\u308b\u7cbe\u5ea6\u3001\u901f\u3055\u3001\u64cd\u4f5c\u6027\u3092\u5b9f\u73fe\u3057\u307e\u3059\u3002<b>ORBITAL<\/b>\u72ec\u81ea\u306e\u30e6\u30cb\u30bf\u30ea\u5909\u63db\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u306b\u3088\u308a\u3001\u5e73\u9762\u6ce2\u8a08\u7b97\u306e\u7cbe\u5ea6\u3068\u5b9f\u7a7a\u9593\u3067\u306e\u5316\u5b66\u7684\u89e3\u91c8\u306e\u53cc\u65b9\u3092\u3001\u7523\u696d\u754c\u304c\u6c42\u3081\u308b\u30b9\u30d4\u30fc\u30c9\u3067\u63d0\u4f9b\u3057\u307e\u3059\u3002\u2014\u7cbe\u5ea6\u306f\u305d\u306e\u307e\u307e\u306b\u3001\u5316\u5b66\u3092\u53ef\u8996\u5316\u3059\u308b\u2014<\/p>\n<p><b>\u30b9\u30a4\u30b9\u304c\u78e8\u304f\u7cbe\u5ea6\u3002\u7523\u696d\u3092\u52d5\u304b\u3059\u91cf\u5b50\u5316\u5b66\u3002<\/b><\/p>\n<p>\u6750\u6599\u30fb\u5206\u5b50\u7814\u7a76\u958b\u767a\u3092\u6b21\u306e\u30b9\u30c6\u30c3\u30d7\u3078\u3002<b>ORBITAL<\/b>\u306e\u6027\u80fd\u3092\u305c\u3072\u3054\u4f53\u9a13\u304f\u3060\u3055\u3044\u3002\u5316\u5b66\u7d50\u5408\u89e3\u6790\u306b\u95a2\u3059\u308b\u3054\u76f8\u8ac7\u3084\u5c0e\u5165\u306b\u3064\u3044\u3066\u306f\u3001\u304a\u6c17\u8efd\u306b\u304a\u554f\u3044\u5408\u308f\u305b\u304f\u3060\u3055\u3044\u3002<\/p>\n<p>\u5927\u5b66\u30fb\u7814\u7a76\u6a5f\u95a2\u306e\u7686\u69d8\u3078\uff1a\u5927\u5b66\u3084\u7814\u7a76\u6a5f\u95a2\u306b\u6240\u5c5e\u3059\u308b\u7814\u7a76\u8005\u306e\u7686\u69d8\u306b\u3082\u3001<b>ORBITAL<\/b>\u306e\u512a\u308c\u305f\u6027\u80fd\u3092\u3054\u6d3b\u7528\u3044\u305f\u3060\u3051\u307e\u3059\u3002\u5b66\u8853\u7528\u9014\u3067\u306e\u7279\u5225\u4fa1\u683c\u3092\u3054\u7528\u610f\u3057\u3066\u3044\u307e\u3059\u306e\u3067\u3001\u8a73\u7d30\u306b\u3064\u3044\u3066\u306f\u304a\u554f\u3044\u5408\u308f\u305b\u304f\u3060\u3055\u3044\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>ORBITAL \u2015 \u7523\u696d\u7528\u9014\u306b\u5411\u3051\u305f\u91cf\u5b50\u5316\u5b66\u89e3\u6790\u306e\u65b0\u305f\u306a\u30b9\u30bf\u30f3\u30c0\u30fc\u30c9 ORBITAL\uff08Orbital and Bond Interaction Tool for Advanced Laboratories\uff09\u306f\u3001Wellenfunktion GmbH\u304c\u7523\u696d\u30e6\u30fc\u30b6\u30fc\u5411\u3051\u306b\u958b\u767a\u3057\u305f\u3001\u540c\u793e\u521d\u306e\u5546\u7528\u30bd\u30d5\u30c8\u30a6\u30a7\u30a2\u3067\u3059\u3002\u4e16\u754c\u7684\u306b\u77e5\u3089\u308c\u308b\u8a08\u7b97\u30d7\u30ed\u30b0\u30e9\u30e0LOBSTER\u306e\u5b9f\u7e3e\u3042\u308b\u6280\u8853\u57fa\u76e4\u3092\u7d99\u627f\u3057\u3064\u3064\u3001\u9577\u5e74\u306b\u308f\u305f\u308b\u91cf\u5b50\u5316\u5b66\u30b3\u30f3\u30b5\u30eb\u30c6\u30a3\u30f3\u30b0\u306e\u73fe\u5834\u7d4c\u9a13\u3092\u3082\u3068\u306b\u5927\u5e45\u306b\u6a5f\u80fd\u3092\u5f37\u5316\u3057\u307e\u3057\u305f\u3002\u5206\u5b50\u3001\u5468\u671f\u7cfb\u3001\u975e\u5468\u671f\u7cfb\u3092\u5bfe\u8c61\u3068\u3057\u305f\u3001\u9ad8\u7cbe\u5ea6\u306a\u91cf\u5b50\u5316\u5b66\u89e3\u6790\u306e\u305f\u3081\u306e\u5305\u62ec\u7684\u306a\u30c4\u30fc\u30eb\u3092\u63d0\u4f9b\u3057\u307e\u3059\u3002ORBITAL\u306f\u3001\u5e73\u9762\u6ce2\u57fa\u5e95\u306b\u3088\u308b\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306e\u7d50\u679c\u3092\u3001\u9ad8\u7cbe\u5ea6\u306a\u539f\u5b50\u4e2d\u5fc3\u57fa\u5e95\u95a2\u6570\u3078\u9ad8\u901f\u304b\u3064\u30e6\u30cb\u30bf\u30ea\u306b\u5909\u63db\u3057\u307e\u3059\u3002\u3053\u308c\u306b\u3088\u308a\u3001\u5e73\u9762\u6ce2\u8a08\u7b97\u306e\u7cbe\u5ea6\u3092\u7dad\u6301\u3057\u305f\u307e\u307e\u3001\u5316\u5b66\u7d50\u5408\u3084\u96fb\u5b50\u69cb\u9020\u3092\u3001\u7523\u696d\u7528\u9014\u306b\u6c42\u3081\u3089\u308c\u308b\u901f\u3055\u3068\u4fe1\u983c\u6027\u3067\u8a73\u7d30\u306b\u89e3\u6790\u3059\u308b\u3053\u3068\u304c\u53ef\u80fd\u306b\u306a\u308a\u307e\u3059\u3002 \u4e3b\u306a\u6a5f\u80fd: COHP, COBI, COOP\u3092\u7528\u3044\u305f\u660e\u77ad\u304b\u3064\u81ea\u52d5\u5316\u3055\u308c\u305f\u5316\u5b66\u7d50\u5408\u89e3\u6790 \u96fb\u8377\u3092\u53d6\u308a\u9003\u3055\u306a\u3044\u9ad8\u7cbe\u5ea6\u306aDOS\u3001\u5c40\u6240DOS\u3001\u8ecc\u9053\u5360\u6709\u6570\u89e3\u6790 \u6ce2\u52d5\u95a2\u6570\u306b\u57fa\u3065\u304f\u3001\u9ad8\u901f\u304b\u3064\u4fe1\u983c\u6027\u306e\u9ad8\u3044Mulliken\u96fb\u8377\u304a\u3088\u3073L\u00f6wdin\u96fb\u8377\u89e3\u6790 Madelung\u30a8\u30cd\u30eb\u30ae\u30fc \u306e\u81ea\u52d5\u8a08\u7b97 \u6750\u6599\u7279\u6027\u306b\u5bc4\u4e0e\u3059\u308b\u8ecc\u9053\u3084\u5316\u5b66\u7d50\u5408\u3092\u53ef\u8996\u5316\u3059\u308b\u3001\u8ecc\u9053\u30fb\u7d50\u5408\u5c04\u5f71\u30d5\u30a1\u30c3\u30c8\u30d0\u30f3\u30c9\u89e3\u6790 \u67d4\u8edf\u306a\u539f\u5b50\u57fa\u5e95\u306e\u8a2d\u5b9a\u3068\u8ecc\u9053\u56de\u8ee2 \u6a5f\u68b0\u51e6\u7406\u306b\u3082\u9069\u3057\u305f\u3001\u660e\u77ad\u3067\u8aad\u307f\u3084\u3059\u3044JSON\u5f62\u5f0f\u306e\u5165\u51fa\u529b \u8a08\u7b97\u6e96\u5099\u304b\u3089\u7d50\u679c\u306e\u89e3\u6790\u30fb\u53ef\u8996\u5316\u307e\u3067\u3092\u30b7\u30fc\u30e0\u30ec\u30b9\u306b\u884c\u3048\u308b\u76f4\u611f\u7684\u306aGUI LOBSTER\u3092\u5927\u304d\u304f\u4e0a\u56de\u308b\u8a08\u7b97\u6027\u80fd \u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306e\u7cbe\u5ea6\u3092\u640d\u306a\u3046\u3053\u3068\u306a\u304f\u5f97\u3089\u308c\u308b\u3001\u76f4\u611f\u7684\u304b\u3064\u5316\u5b66\u7684\u306a\u7406\u89e3 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