HCL және LiH қосатомды молекулаларының энергетикалық спектрлері, күтілетін мәндері және термодинамикалық қасиеттері
DOI:
https://doi.org/10.31489/2024No1/124-137Кілт сөздер:
Грин-Олдричтің жуықтауы, байланысқан күй, Хеллман-Фейнман теоремасы, термодинамикалық қасиеттерАңдатпа
Шредингер теңдеуі Кратцерэкрандалған потенциалды ескере отырыпХультенус бойынша Никифоров-Уваровтың функционалды талдау әдісін қолдану арқылы шешіледі. Грин-Олдричтің жуықтауы энергия теңдеуі мен толқындық функция үшін тұйық түрдегі өрнектерді анықтау үшін қолданылады. Хеллман-Фейнман теоремасы HCL және LiH қосатомдық молекулаларының (DM) әртүрлі кванттық күйлерінің энергетикалық спектрлері мен математикалық күтімдерін есептеу үшін пайдаланылған. Кейіннен статистикалық қосындыны есептеу үшін бұрын алынған энергия теңдеуі қолданылды, бұл өз кезегінде қосатомдық молекулалармен байланысты термодинамикалық қасиеттерді анықтауға мүмкіндік берді. ҚосатомдықмолекулаларменLiHүшінстатистикалыққосындыәртүрлітемпературадаесептелген. Нәтижелер екі қосатомды молекуланың статистикалық қосындысы температураның жоғарылауымен артанын көрсетеді. Алынған нәтижелер әдебиетте сипатталған нәтижелермен сәйкес келеді.
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