{"entities":{"Q4532698":{"pageid":6562290,"ns":120,"title":"Item:Q4532698","lastrevid":47923948,"modified":"2026-01-03T02:36:21Z","type":"item","id":"Q4532698","labels":{"en":{"language":"en","value":"Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis"}},"descriptions":{"en":{"language":"en","value":"scientific article; zbMATH DE number 1750056"}},"aliases":{},"claims":{"P31":[{"mainsnak":{"snaktype":"value","property":"P31","hash":"fd5912e4dab4b881a8eb0eb27e7893fef55176ad","datavalue":{"value":{"entity-type":"item","numeric-id":56887,"id":"Q56887"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q4532698$5278D116-7C33-43B9-B7AB-48838F15FD90","rank":"normal"}],"P159":[{"mainsnak":{"snaktype":"value","property":"P159","hash":"2167e9fabe43e3f513a84ddfec198b0d8fc39b87","datavalue":{"value":{"text":"Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis","language":"en"},"type":"monolingualtext"},"datatype":"monolingualtext"},"type":"statement","id":"Q4532698$E77D43B7-61CD-46D4-9011-185AD7FB791F","rank":"normal"}],"P225":[{"mainsnak":{"snaktype":"value","property":"P225","hash":"38bfec4f83966abee4dd18ef2dcf5b45ad49098a","datavalue":{"value":"1019.81511","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q4532698$1FD73355-6D2A-464E-A63E-C1B72A141927","rank":"normal"}],"P27":[{"mainsnak":{"snaktype":"value","property":"P27","hash":"c366f6393bb26082ee39cbe43d8e009512d38124","datavalue":{"value":"10.1016/S0097-8485(99)00070-4","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q4532698$EC84DB08-9D9D-457E-917C-BAD82E005B3F","rank":"normal"}],"P16":[{"mainsnak":{"snaktype":"value","property":"P16","hash":"dff645a091fc4eb497b892a9428cc5f8b7fd1944","datavalue":{"value":{"entity-type":"item","numeric-id":282208,"id":"Q282208"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q4532698$C079392B-BCA8-484C-892A-8AC35A2C631B","rank":"normal"}],"P200":[{"mainsnak":{"snaktype":"value","property":"P200","hash":"24392fc7bbf6d4c7e762594e39ffc14ab5c230a5","datavalue":{"value":{"entity-type":"item","numeric-id":3049860,"id":"Q3049860"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q4532698$BC967912-48D7-4C40-A01A-886327D32E78","rank":"normal"}],"P28":[{"mainsnak":{"snaktype":"value","property":"P28","hash":"61aac4a2ea0ea6654c99e9be9cc2425a3996b97d","datavalue":{"value":{"time":"+2003-06-29T00:00:00Z","timezone":0,"before":0,"after":0,"precision":11,"calendarmodel":"http://www.wikidata.org/entity/Q1985727"},"type":"time"},"datatype":"time"},"type":"statement","id":"Q4532698$DC12D194-C69A-4C05-8B08-D4625C5FA76A","rank":"normal"}],"P226":[{"mainsnak":{"snaktype":"value","property":"P226","hash":"4813816b754d3f100991ebef2943a6e75f1aeb2b","datavalue":{"value":"81V55","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q4532698$AF4A7D24-4C11-4EF4-BFA9-C1BA33B3A042","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"a0401b536e7fb40315b94c06d6e995ad118c1cfc","datavalue":{"value":"92E20","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q4532698$F0B1D396-44B1-41BA-95D7-8A7315B48F7C","rank":"normal"}],"P1451":[{"mainsnak":{"snaktype":"value","property":"P1451","hash":"7e76ed1136a78a930bcf41f0d48178c764aa9471","datavalue":{"value":"1750056","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q4532698$C0DDBA74-4533-4067-899C-0799C6BE0C9B","rank":"normal"}],"P1450":[{"mainsnak":{"snaktype":"value","property":"P1450","hash":"869e7293fcd7674be3a2cc63c9525751d596d547","datavalue":{"value":"charge sensitivity analysis","type":"string"},"datatype":"string"},"type":"statement","id":"Q4532698$9B49C630-A926-4FC9-B994-DADC84B92025","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"d78007c7dca3e546ae41e4141f6c35bfa0a0daf2","datavalue":{"value":"chemical hardness/softness parameter","type":"string"},"datatype":"string"},"type":"statement","id":"Q4532698$AC5F6FEC-0FD5-4E5C-9F75-ACC1983CE57E","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"2bfb0ea16a6a2b034edff7af4583ee6717e4725b","datavalue":{"value":"closed/open molecular systems","type":"string"},"datatype":"string"},"type":"statement","id":"Q4532698$EED90DAC-1B71-4D45-9F23-A9EE95BCE212","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"c55f7075c527dbd86f91bbff2ad08e1770136229","datavalue":{"value":"ground-state coupling transformations","type":"string"},"datatype":"string"},"type":"statement","id":"Q4532698$C4CA2F38-A4B3-4B11-AC4B-E9EEEC2DD075","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"e393cdb541abce1b9ec804358ee61ec17ed6d5b8","datavalue":{"value":"mapping relations","type":"string"},"datatype":"string"},"type":"statement","id":"Q4532698$EDF78505-92CC-4357-B895-02C06685188B","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"df9bd80cb114857b4b850b30948fac01a4cba524","datavalue":{"value":"relaxation of geometrical and electronic structures","type":"string"},"datatype":"string"},"type":"statement","id":"Q4532698$6E44CBAF-0C1F-4824-839F-F59CAB9463D9","rank":"normal"}],"P12":[{"mainsnak":{"snaktype":"value","property":"P12","hash":"63f7a67c41a07030098651cdc16ed7c65d61116c","datavalue":{"value":"Q52078662","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q4532698$9FA62493-0733-4AA3-8692-DDB3598AF8ED","rank":"normal"}],"P1460":[{"mainsnak":{"snaktype":"value","property":"P1460","hash":"57f7fea50d2ce1b39b695c4a1313582eed405e38","datavalue":{"value":{"entity-type":"item","numeric-id":5976449,"id":"Q5976449"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q4532698$05178D5C-ACAD-4911-8A6D-256A85B6E644","rank":"normal"}],"P205":[{"mainsnak":{"snaktype":"value","property":"P205","hash":"ac6dd735f9c3ce5ad715cf98d427e7e443749114","datavalue":{"value":"https://doi.org/10.1016/s0097-8485(99)00070-4","type":"string"},"datatype":"url"},"type":"statement","id":"Q4532698$98E05D35-E5FA-4EF8-B92A-B08E34A521E4","rank":"normal"}],"P388":[{"mainsnak":{"snaktype":"value","property":"P388","hash":"530748b470aff4badac22e7bd6fb0745412c1b05","datavalue":{"value":"W2000740260","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q4532698$0487EB20-6622-41AA-A32E-436C5D2CBD5F","rank":"normal"}],"P1643":[{"mainsnak":{"snaktype":"value","property":"P1643","hash":"7db41d3b066b8a6fda056c77bc2f936ccbdb06a7","datavalue":{"value":{"entity-type":"item","numeric-id":609607,"id":"Q609607"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"71b77c03491e96aa5a96015f37cf7ea8af1c97bd","datavalue":{"value":{"amount":"+0.7241893410682678","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q4532698$340E3A62-4C03-4AF0-8FD7-6CE891EC8572","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"2c162970936c263c6de62b8d3ff1ab958f6aef47","datavalue":{"value":{"entity-type":"item","numeric-id":5284431,"id":"Q5284431"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"c7fe97b23db7aa0142fcb0c8de3ef727365fe274","datavalue":{"value":{"amount":"+0.672641932964325","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q4532698$3C5992DF-1805-42CB-82DD-EDEF8536428C","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"caf5f69de6795a3d81f1992dd1709ab7b5b10771","datavalue":{"value":{"entity-type":"item","numeric-id":4432291,"id":"Q4432291"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"c7fe97b23db7aa0142fcb0c8de3ef727365fe274","datavalue":{"value":{"amount":"+0.672641932964325","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q4532698$43BE0E26-6C45-44E4-8C7D-5CFEAC9A3EEE","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"cf9f74b0fcfa4965c0027013e41745cf09a758e2","datavalue":{"value":{"entity-type":"item","numeric-id":2485883,"id":"Q2485883"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"9fc99adc2cfaf770270b0bd83767b9421b0af46a","datavalue":{"value":{"amount":"+0.6507061719894409","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q4532698$EBA4AD70-5D79-4C28-8B4F-C28D812E7D28","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"38fee3cca4dcf7b18d870208bbba3fda38d3e719","datavalue":{"value":{"entity-type":"item","numeric-id":2955621,"id":"Q2955621"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"e8f6401e320529dea3a917477a6ac584d15d22d1","datavalue":{"value":{"amount":"+0.643503725528717","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q4532698$A70D13BA-451D-442A-A561-D3DE40DE9FA2","rank":"normal"}]},"sitelinks":{"mardi":{"site":"mardi","title":"Publication:4532698","badges":[],"url":"https://portal.mardi4nfdi.de/wiki/Publication:4532698"}}}}}