Scribd Logo
Загрузить

Добро пожаловать в Scribd!

  • Hydrogen Molecule Ion

    Загружено:

    Mariam
    25 просмотров13 страниц
    The document describes the hydrogen molecular ion. It presents the Schrodinger equation used to model the system and defines the wavefunction and various terms in the equation. It then outlines the steps taken to calculate the overlap integral between the hydrogen atoms, which is used to determine the total energy of the system and potential energy of interaction between the protons. A plot of the function used to calculate these energies is also included.

    Исходное описание:

    Quantum Mechanics

    Авторское право

    © © All Rights Reserved

    Доступные форматы

    PDF, TXT или читайте онлайн в Scribd

    Этот документ был вам полезен?

    Это неприемлемый материал?

    Пожаловаться на этот документ
    The document describes the hydrogen molecular ion. It presents the Schrodinger equation used to model the system and defines the wavefunction and various terms in the equation. It then outlines the steps taken to calculate the overlap integral between the hydrogen atoms, which is used to determine the total energy of the system and potential energy of interaction between the protons. A plot of the function used to calculate these energies is also included.

    Авторское право:

    © All Rights Reserved
    Скачайте в формате PDF, TXT или читайте онлайн в Scribd
    Отметить как неприемлемый контент
    25 просмотров13 страниц

    Hydrogen Molecule Ion

    Загружено:

    Mariam
    The document describes the hydrogen molecular ion. It presents the Schrodinger equation used to model the system and defines the wavefunction and various terms in the equation. It then outlines the steps taken to calculate the overlap integral between the hydrogen atoms, which is used to determine the total energy of the system and potential energy of interaction between the protons. A plot of the function used to calculate these energies is also included.

    Авторское право:

    © All Rights Reserved
    Скачайте в формате PDF, TXT или читайте онлайн в Scribd
    Отметить как неприемлемый контент
    из 13

    HYDROGEN

    -e

    MOLECULE ION

    r2
    r1

    +e
    R

    +e

    HYDROGEN

    MOLECULE ION

    2 2

    2

    2
    1
    (
    40 1

    1
    )
    2

    = 0 1 0 2
    0 =

    1
    3

    1=

    1=
    0

    0 (1

    2 3

    2 3
    0 (2

    23

    1
    =
    2(1

    2 0 (1 0 (2 3
    I

    0 (1 0 (2 3

    1
    = 3

    (1 +2

    1
    3

    2 + 2 2

    2 = 2 = 2

    = 2 + 2 2.

    2 + 2 2

    1
    =

    =0

    =+

    ++
    ( +

    2
    = 2

    ++

    + +
    0

    1
    1+ +
    3

    !
    =

    + 2

    2 2

    2

    2
    1
    (
    40 1

    1
    )
    2

    =
    2 2

    2

    40 1,2

    0 1,2 = 1 0 (1,2 )

    0 (1,2

    2 2
    2 1 1
    =

    ( +
    2
    40 1 2

    0 1 0 2

    2
    = 1 (
    40

    0 1
    0 2

    1
    2

    = 1 2 (
    40

    0 1

    1
    0 1
    2

    = 0 1

    0 1
    2

    = 0 1

    0 2
    1

    0 1

    1
    0 2
    1

    = 1+2
    1
    1

    1
    1+ +
    3

    2
    = (1 +


    = (1 +

    2 1
    2
    =
    = 1
    40

    = +

    2
    = 1+2

    1
    1


    =
    1
    1

    2
    2

    =
    1+2

    =
    12
    1
    1
    1

    1
    1
    2
    1
    1 2
    2 + ( + 2

    1
    +

    1
    +

    +
    1

    1
    +

    (1
    +

    2
    2
    3

    = 1 + 2
    =
    1
    +
    2
    2

    1 (1 + + 3
    1 (1 + + 3

    2
    = 1 +

    2 2
    1 + (1 + 2
    3
    2

    1 (1 + +
    3

    0
    0

    -0.2

    -0.4

    -0.6

    -0.8

    -1

    -1.2

    Вам также может понравиться