First principles simulations 第一原理計算 .fr

12. Advanced Laser and Photon Science (Takeshi SATO) for internal use only (Univ. of Tokyo). At least two orbitals are required. Tunneling ionization. ΨGVB(r1 ...
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Advanced Laser and Photon Science (Takeshi SATO) for internal use only (Univ. of Tokyo)

Advanced Laser and Photon Science レーザー・光量子科学特論

First principles simulations 第一原理計算 Takeshi Sato http://ishiken.free.fr/english/lecture.html [email protected]

7/5 No. 1

Advanced Laser and Photon Science (Takeshi SATO) for internal use only (Univ. of Tokyo)

Interac(on of atoms and molecules with intense electric fields (1013 ∼1015 W/cm2) Nuclear aBrac(on & electric field

Z +E·r r electron

Tunneling ioniza(on

Escape poten(al barrier

7/5 No. 2

Advanced Laser and Photon Science (Takeshi SATO) for internal use only (Univ. of Tokyo)

Femtosecond intense laser fields (Visible∼IR, 1013 ∼1015 W/cm2) Corkum, Phys. Rev. LeB. 71, 1994 (1993)

Tunneling Near-free Reverse Recombina(on ioniza(on propaga(on accelera(on RescaBering Ψc = a(k)eikx–iωt Ψg

7/5 No. 3

Advanced Laser and Photon Science (Takeshi SATO) for internal use only (Univ. of Tokyo)

Femtosecond intense laser fields (Visible∼IR, 1013 ∼1015 W/cm2) High harmonic spectrum 2

Intensity (arb. unit)

10

1

10

“Cutoff”

0

10

-1

10

-2

10

-3

10

-4

10

-5

10

“Plateau”

-6

10

-7

10

-8

10

0

10

20

30

Harmonic order

Hydrogen atom Ψg

40

50

Ψc = a(k)eikx–iωt

Recombina(on RescaBering 4

7/5 No. 4

Advanced Laser and Photon Science (Takeshi SATO) for internal use only (Univ. of Tokyo)

Femtosecond intense laser fields (Visible∼IR, 1013 ∼1015 W/cm2) High harmonic spectrum

Recombina(on Laser field: E(t) = E0 cos(!0 t)

2

Intensity (arb. unit)

10

1

Kine(c energy @ return (me (Kr)

10

“Cutoff”

0

10

-1

10

-2

10

Ioniza(on Poten(al (IP)

-3

10

-4

10

-5

10

“Plateau”

-6

10

-7

10

-8

10

0

10

20

30

Harmonic order

Hydrogen atom

40

50

~! = IP + Kr  IP + 3.17Up Up =

E02 4!02

Cutoff energy

: Ponderomo(ve energy 7/5 No. 5

Advanced Laser and Photon Science (Takeshi SATO) for internal use only (Univ. of Tokyo)

Femtosecond intense laser fields (Visible∼IR, 1013 ∼1015 W/cm2)

Ionization probability

100 10-1 10-2

Sequential Exact

“Shoulder” region

10-3 10-4 10-5 2⋅1014

Nonsequen(al Double ioniza(on Ψc15= a(k)eikx–iωt 3⋅1015 1⋅10

Field intensity (W/cm2) Ψg

Recombina(on RescaBering 7/5 No. 6

Advanced Laser and Photon Science (Takeshi SATO) for internal use only (Univ. of Tokyo)

Time-dependent Schrödinger equa(on i ˙ (r1 , r2 , . . . rN , t) = H (r1 , r2 , . . . rN , t) H(t) =

N X i=1

(

r2i 2

+

M X

A=1

ZA + Vlaser (ri ; t) |ri RA |

)

+

N X X i=1 j