
dhruviya nirantarta model

dhruviya nirantarta model (pee. see. aim.) samadhan prabhaavon key model key liye computational rasayan vigyaan mein aamtaur parr upayog kii jaane vaali vidhi haye. yadi pratyek vilaayak anu koo ack alag anu key roop mein maanana aavashyak haye, tou ack vilaayak-madhyasth rasayanik pratikriya key pratiroopan kii computational laagat nishedhaatmak roop seey adhik badh jaayegi. vilaayak koo alag-alag anuon key bajaay dhruviya nirantarta key roop mein pratiroopan karna, "abb initio" ganana koo sambhav banaata haye. dou prakaar key pee. see. aim. kaa lokpriya roop seey upayog kiya gayaa haih paraavartak pee. see. aim. (dee-pee. see. aim.) jisamen nirantarta dhruviya haye (paraavartak dekhein) aur chaalak-jaise pee. see. aim. (see-pee. see. aim.) jisamen nirantarta cosmo solvation model key samaan haye.
vilayan kii aanvik mukt oorjaa kii ganana teen shabdon key yog key roop mein kii jaati haih
mamalon mein charge-transfer prabhaav koo bhee samadhan kaa ack hissa maanaa jaataa haye.
pee. see. aim. vilayan model kaee quantum rasayanik computational packages jaise gausi, games aur jey. dee. aff. tii. aiks. mein hartry-fock aur ghanatva karyatmak siddhant (dee. aff. tii.) staron parr oorjaa aur pravanata kii ganana key liye upalabdh haye.
2002 key ack shodh patra key lekhakon ney dekhaa kii pee. see. aim. kii seemaaen hain jahan gair-vidyut-sthir prabhaav vilaayak-vilaayak antahkriyaon parr haavi hotey hain. way saar mein likhate hainh "choonki kewal sthirvidyut-vilaayak antahkriyaaen pee. see. aim. mein shamil hain, isaliye hamaare parinam iss nishkarsh parr pahunchate hain kii, adhyayan kiye gaye saat anuon key liye, cyclohexane, acetone, methanol aur acetonitrile electrostatic prabhaav pramukh hain jabaki carbon tetrachloride, benzene aur chloroform mein anya gair-vidyutvidyut prabhaav adhik mahatvapurna hain."
pee. see. aim. kaa ack abhinn sameekaran aupchaariktaa (aaee. ee. aff.) sanskaran haye joe bahut aam taur parr upayog kiya jaataa haye.
pee. see. aim. kaa upayog bahu-stariya vilayan drishtikon mein baahari vilayan paraton key model key liye bhee kiya jaataa haye.

