Развитие методов моделирования молекулярных явлений в конденсированных средах
Диссертация
Методы построения 11 113 для молекулярного моделирования можно подразделить на полуэмпирические и неэмпирические. В первом случае потенциалы взаимодействия между частицами записываются в аналитическом виде, и параметры выбранных функций подбираются по согласованию результатов моделирования с выборкой экспериментальных данных. Наиболее популярны потенциалы, используемые в методах молекулярной… Читать ещё >
Список литературы
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