Энергетические спектры, ожидаемые значения и термодинамические свойства двуатомных молекулHClи LiH
DOI:
https://doi.org/10.31489/2024No1/124-137Ключевые слова:
приближение Грина-Олдрича, связанное состояние, теорема Хеллмана-Фейнмана, термодинамические свойстваАннотация
Уравнение Шредингера решается путем применения метода функционального анализа Никифорова-Уварова по Хюльтенус учетом экранированного потенциалаКратцера. Приближение Грина-Олдрича используется для определения выражений в замкнутой форме для уравнения энергии и волновой функции. Теорема Хеллмана-Фейнмана была использована для расчета энергетических спектров и математических ожиданий различных квантовых состояний двухатомных молекул (DM) HCl и LiH. Впоследствии использовано уравнение энергии, которое ранее было выведено для расчета статистической суммы, что, в свою очередь, позволило нам определить термодинамические свойства, связанные с двухатомными молекулами. Статистическая сумма для двухатомных молекул и LiH рассчитана при различных температурах. Результаты показывают, что статистическая сумма двух двухатомных молекул растет с повышением температуры. Полученные результаты согласуются с результатами, описанными в литературе.
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