Том 16, номер 03, статья № 8

Аннотация:

Дается краткий обзор основных теоретических методов, используемых для расчетов и моделирования центров и интенсивностей колебательно-вращательных переходов в молекулярных спектрах высокого разрешения. Проблемы расчетов полос с большими DV, высоких вращательных состояний и аномалий в интенсивностях иллюстрируются примерами для молекул O₃, H₂S, H₂O и их изотопических модификаций. Обсуждаются расчетные спектроскопические банки нового поколения, включающие информацию по потенциальным функциям и функциям дипольного момента.

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