{"id":379,"date":"2026-06-04T18:42:20","date_gmt":"2026-06-04T16:42:20","guid":{"rendered":"https:\/\/wellenfunktion.ch\/?page_id=379"},"modified":"2026-06-04T18:49:51","modified_gmt":"2026-06-04T16:49:51","slug":"product-2","status":"publish","type":"page","link":"https:\/\/wellenfunktion.ch\/?page_id=379&lang=ja","title":{"rendered":"Product"},"content":{"rendered":"<h2>ORBITAL \u3092\u3054\u7d39\u4ecb \u2015 \u7523\u696d\u5411\u3051\u91cf\u5b50\u5316\u5b66\u306e\u5f37\u529b\u306a\u30c4\u30fc\u30eb<\/h2>\n<p><b>ORBITAL<\/b>\uff08Orbital and Bond Identifying Tool for Advanced Laboratories\uff09\u306f\u3001Wellenfunktion GmbH\u304c\u7523\u696d\u30e6\u30fc\u30b6\u30fc\u5411\u3051\u306b\u7279\u5225\u306b\u958b\u767a\u3057\u305f\u521d\u306e\u5546\u7528\u30bd\u30d5\u30c8\u30a6\u30a7\u30a2\u3067\u3059\u3002\u4e16\u754c\u7684\u306b\u6709\u540d\u306aLOBSTER\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u30d7\u30ed\u30b0\u30e9\u30e0\u306e\u5b9f\u7e3e\u3042\u308b\u57fa\u76e4\u306e\u4e0a\u306b\u69cb\u7bc9\u3055\u308c\u3001\u9577\u5e74\u306b\u308f\u305f\u308b\u5b9f\u4e16\u754c\u306e\u91cf\u5b50\u5316\u5b66\u30b3\u30f3\u30b5\u30eb\u30c6\u30a3\u30f3\u30b0\u3092\u901a\u3058\u3066\u5927\u5e45\u306b\u5f37\u5316\u3055\u308c\u305f<b>ORBITAL<\/b>\u306f\u3001\u5206\u5b50\u3001\u5468\u671f\u6027\u304a\u3088\u3073\u975e\u5468\u671f\u6027\u6750\u6599\u306e\u9ad8\u7cbe\u5ea6\u306a\u91cf\u5b50\u5316\u5b66\u89e3\u6790\u306e\u305f\u3081\u306e\u5305\u62ec\u7684\u306a\u30c4\u30fc\u30eb\u30ad\u30c3\u30c8\u3092\u63d0\u4f9b\u3057\u307e\u3059\u3002\u5e73\u9762\u6ce2\u8a08\u7b97\u3092\u8d77\u70b9\u3068\u3057\u3066\u3001<b>ORBITAL<\/b>\u306f\u8d85\u9ad8\u901f\u306e\u30e6\u30cb\u30bf\u30ea\u30fc\u5909\u63db\u306b\u3088\u308a\u7cbe\u5bc6\u306a\u539f\u5b50\u4e2d\u5fc3\u57fa\u5e95\u95a2\u6570\u3078\u3068\u5909\u63db\u3057\u3001\u7523\u696d\u30ec\u30d9\u30eb\u306e\u901f\u5ea6\u3068\u4fe1\u983c\u6027\u3092\u3082\u3063\u3066\u5f37\u529b\u306a\u7d50\u5408\u304a\u3088\u3073\u96fb\u5b50\u69cb\u9020\u89e3\u6790\u3092\u5b9f\u73fe\u3057\u307e\u3059\u3002\u4e3b\u306a\u6a5f\u80fd\uff1a<\/p>\n<ul>\n<li>\u6975\u3081\u3066\u660e\u5feb\u306a\u7d50\u5408\u89e3\u6790\uff08\u81ea\u52d5COHP\u3001COBI\u3001COOP\uff09<\/li>\n<li>\u96fb\u8377\u640d\u5931\u30bc\u30ed\u306e\u8d85\u9ad8\u7cbe\u5ea6DOS\u3001\u5c40\u6240DOS\u3001\u304a\u3088\u3073\u8ecc\u9053\u5360\u6709\u5ea6 <\/li>\n<li>\u8d85\u9ad8\u901f\u304b\u3064\u4fe1\u983c\u6027\u306e\u9ad8\u3044\u6ce2\u52d5\u95a2\u6570\u30d9\u30fc\u30b9\u306eMulliken &#038; L\u00f6wdin\u96fb\u8377 <\/li>\n<li>\u81ea\u52d5Madelung\u30a8\u30cd\u30eb\u30ae\u30fc <\/li>\n<li>\u3069\u306e\u8ecc\u9053\u304a\u3088\u3073\u3069\u306e\u7d50\u5408\u304c\u6750\u6599\u7279\u6027\u3092\u6c7a\u5b9a\u3057\u3066\u3044\u308b\u304b\u3092\u6b63\u78ba\u306b\u660e\u3089\u304b\u306b\u3059\u308b\u3001\u8ecc\u9053\u304a\u3088\u3073\u7d50\u5408\u6295\u5f71\u306b\u3088\u308b\u300c\u30d5\u30a1\u30c3\u30c8\u30d0\u30f3\u30c9\u300d <\/li>\n<li>\u67d4\u8edf\u306a\u539f\u5b50\u57fa\u5e95\u304a\u3088\u3073\u8ecc\u9053\u56de\u8ee2<\/li>\n<li>\u30af\u30ea\u30fc\u30f3\u3067\u6a5f\u68b0\u53ef\u8aad\u306aJSON\u5165\u51fa\u529b <\/li>\n<li>\u76f4\u611f\u7684\u306aGUI\u3068\u624b\u9593\u306e\u304b\u304b\u3089\u306a\u3044\u524d\u51e6\u7406\u30fb\u5f8c\u51e6\u7406 <\/li>\n<li>LOBSTER\u3088\u308a\u3082\u5927\u5e45\u306b\u512a\u308c\u305f\u30d1\u30d5\u30a9\u30fc\u30de\u30f3\u30b9 <\/li>\n<li>\u91cf\u5b50\u7cbe\u5ea6\u3092\u72a0\u7272\u306b\u3059\u308b\u3053\u3068\u306a\u304f\u5f97\u3089\u308c\u308b\u76f4\u611f\u7684\u306a\u5316\u5b66\u7684\u7406\u89e3<\/li>\n<\/ul>\n<p>\n\u771f\u306e\u7523\u696d\u30b0\u30ec\u30fc\u30c9\u306e\u30bd\u30ea\u30e5\u30fc\u30b7\u30e7\u30f3\u3068\u3057\u3066\u8a2d\u8a08\u3055\u308c\u3001\u30ab\u30b9\u30bf\u30de\u30a4\u30ba\u53ef\u80fd\u306a\u30aa\u30d7\u30b7\u30e7\u30f3\u3092\u5099\u3048\u305f<b>ORBITAL<\/b>\u306f\u3001LOBSTER\u306e\u5b66\u8853\u7684\u306a\u5f37\u307f\u3092\u3055\u3089\u306b\u9ad8\u3044\u30ec\u30d9\u30eb\u3078\u3068\u5f15\u304d\u4e0a\u3052\u3001\u8981\u6c42\u306e\u53b3\u3057\u3044\u7523\u696d\u7528\u9014\u306b\u5fc5\u8981\u306a\u7cbe\u5ea6\u3001\u901f\u5ea6\u3001\u4f7f\u3044\u3084\u3059\u3055\u3092\u63d0\u4f9b\u3057\u307e\u3059\u3002<b>ORBITAL<\/b>\u306e\u30e6\u30cb\u30bf\u30ea\u30fc\u5909\u63db\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u306e\u529b\u306b\u3088\u308a\u3001\u5e73\u9762\u6ce2\u30ec\u30d9\u30eb\u306e\u7cbe\u5ea6\u3068\u771f\u306e\u5316\u5b66\u7684\u89e3\u91c8\u53ef\u80fd\u6027\u3068\u3044\u3046\u300c\u4e21\u65b9\u306e\u9577\u6240\u300d\u3092\u3001\u7523\u696d\u30ec\u30d9\u30eb\u306e\u901f\u5ea6\u3067\u5b9f\u73fe\u3057\u307e\u3059\u3002\u7cbe\u5ea6\u306f\u7dad\u6301\u3055\u308c\u3001\u5316\u5b66\u7684\u672c\u8cea\u304c\u660e\u3089\u304b\u306b\u3055\u308c\u307e\u3059\u3002<\/p>\n<p><b>\u30b9\u30a4\u30b9\u306e\u5353\u8d8a\u6027\u3002\u91cf\u5b50\u30ec\u30d9\u30eb\u306e\u6027\u80fd\u3002\u7523\u696d\u5411\u3051\u306b\u69cb\u7bc9\u3002<\/b><\/p>\n<p>\u6750\u6599\u304a\u3088\u3073\u5206\u5b50\u306e\u7814\u7a76\u958b\u767a\u3092\u6b21\u306e\u30ec\u30d9\u30eb\u3078\u5f15\u304d\u4e0a\u3052\u308b\u6e96\u5099\u306f\u3067\u304d\u3066\u3044\u307e\u3059\u304b\uff1f\u4eca\u3059\u3050\u304a\u554f\u3044\u5408\u308f\u305b\u3044\u305f\u3060\u304d\u3001<b>ORBITAL<\/b>\u3092\u4f53\u9a13\u3057\u3066\u5316\u5b66\u7d50\u5408\u306e\u89e3\u660e\u3092\u63a2\u6c42\u3057\u3066\u304f\u3060\u3055\u3044\u3002<\/p>\n<p>\u5b66\u8853\u30e6\u30fc\u30b6\u30fc\u306e\u7686\u69d8\uff1a<b>ORBITAL<\/b>\u3068\u305d\u306e\u9a5a\u7570\u7684\u306a\u6027\u80fd\u3092\u3001\u7686\u69d8\u3082\u3054\u6d3b\u7528\u3044\u305f\u3060\u3051\u307e\u3059\u3002\u304a\u554f\u3044\u5408\u308f\u305b\u3044\u305f\u3060\u3051\u308c\u3070\u3001\u5927\u5b66\u5411\u3051\u306b\u63d0\u4f9b\u3055\u308c\u308b\u7279\u5225\uff08\u3088\u308a\u624b\u9803\u306a\uff09\u6599\u91d1\u3092\u3054\u5229\u7528\u3044\u305f\u3060\u3051\u307e\u3059\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>ORBITAL \u3092\u3054\u7d39\u4ecb \u2015 \u7523\u696d\u5411\u3051\u91cf\u5b50\u5316\u5b66\u306e\u5f37\u529b\u306a\u30c4\u30fc\u30eb ORBITAL\uff08Orbital and Bond Identifying Tool for Advanced Laboratories\uff09\u306f\u3001Wellenfunktion GmbH\u304c\u7523\u696d\u30e6\u30fc\u30b6\u30fc\u5411\u3051\u306b\u7279\u5225\u306b\u958b\u767a\u3057\u305f\u521d\u306e\u5546\u7528\u30bd\u30d5\u30c8\u30a6\u30a7\u30a2\u3067\u3059\u3002\u4e16\u754c\u7684\u306b\u6709\u540d\u306aLOBSTER\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u30d7\u30ed\u30b0\u30e9\u30e0\u306e\u5b9f\u7e3e\u3042\u308b\u57fa\u76e4\u306e\u4e0a\u306b\u69cb\u7bc9\u3055\u308c\u3001\u9577\u5e74\u306b\u308f\u305f\u308b\u5b9f\u4e16\u754c\u306e\u91cf\u5b50\u5316\u5b66\u30b3\u30f3\u30b5\u30eb\u30c6\u30a3\u30f3\u30b0\u3092\u901a\u3058\u3066\u5927\u5e45\u306b\u5f37\u5316\u3055\u308c\u305fORBITAL\u306f\u3001\u5206\u5b50\u3001\u5468\u671f\u6027\u304a\u3088\u3073\u975e\u5468\u671f\u6027\u6750\u6599\u306e\u9ad8\u7cbe\u5ea6\u306a\u91cf\u5b50\u5316\u5b66\u89e3\u6790\u306e\u305f\u3081\u306e\u5305\u62ec\u7684\u306a\u30c4\u30fc\u30eb\u30ad\u30c3\u30c8\u3092\u63d0\u4f9b\u3057\u307e\u3059\u3002\u5e73\u9762\u6ce2\u8a08\u7b97\u3092\u8d77\u70b9\u3068\u3057\u3066\u3001ORBITAL\u306f\u8d85\u9ad8\u901f\u306e\u30e6\u30cb\u30bf\u30ea\u30fc\u5909\u63db\u306b\u3088\u308a\u7cbe\u5bc6\u306a\u539f\u5b50\u4e2d\u5fc3\u57fa\u5e95\u95a2\u6570\u3078\u3068\u5909\u63db\u3057\u3001\u7523\u696d\u30ec\u30d9\u30eb\u306e\u901f\u5ea6\u3068\u4fe1\u983c\u6027\u3092\u3082\u3063\u3066\u5f37\u529b\u306a\u7d50\u5408\u304a\u3088\u3073\u96fb\u5b50\u69cb\u9020\u89e3\u6790\u3092\u5b9f\u73fe\u3057\u307e\u3059\u3002\u4e3b\u306a\u6a5f\u80fd\uff1a \u6975\u3081\u3066\u660e\u5feb\u306a\u7d50\u5408\u89e3\u6790\uff08\u81ea\u52d5COHP\u3001COBI\u3001COOP\uff09 \u96fb\u8377\u640d\u5931\u30bc\u30ed\u306e\u8d85\u9ad8\u7cbe\u5ea6DOS\u3001\u5c40\u6240DOS\u3001\u304a\u3088\u3073\u8ecc\u9053\u5360\u6709\u5ea6 \u8d85\u9ad8\u901f\u304b\u3064\u4fe1\u983c\u6027\u306e\u9ad8\u3044\u6ce2\u52d5\u95a2\u6570\u30d9\u30fc\u30b9\u306eMulliken &#038; L\u00f6wdin\u96fb\u8377 \u81ea\u52d5Madelung\u30a8\u30cd\u30eb\u30ae\u30fc \u3069\u306e\u8ecc\u9053\u304a\u3088\u3073\u3069\u306e\u7d50\u5408\u304c\u6750\u6599\u7279\u6027\u3092\u6c7a\u5b9a\u3057\u3066\u3044\u308b\u304b\u3092\u6b63\u78ba\u306b\u660e\u3089\u304b\u306b\u3059\u308b\u3001\u8ecc\u9053\u304a\u3088\u3073\u7d50\u5408\u6295\u5f71\u306b\u3088\u308b\u300c\u30d5\u30a1\u30c3\u30c8\u30d0\u30f3\u30c9\u300d \u67d4\u8edf\u306a\u539f\u5b50\u57fa\u5e95\u304a\u3088\u3073\u8ecc\u9053\u56de\u8ee2 \u30af\u30ea\u30fc\u30f3\u3067\u6a5f\u68b0\u53ef\u8aad\u306aJSON\u5165\u51fa\u529b \u76f4\u611f\u7684\u306aGUI\u3068\u624b\u9593\u306e\u304b\u304b\u3089\u306a\u3044\u524d\u51e6\u7406\u30fb\u5f8c\u51e6\u7406 LOBSTER\u3088\u308a\u3082\u5927\u5e45\u306b\u512a\u308c\u305f\u30d1\u30d5\u30a9\u30fc\u30de\u30f3\u30b9 \u91cf\u5b50\u7cbe\u5ea6\u3092\u72a0\u7272\u306b\u3059\u308b\u3053\u3068\u306a\u304f\u5f97\u3089\u308c\u308b\u76f4\u611f\u7684\u306a\u5316\u5b66\u7684\u7406\u89e3 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