This is an index of all words occuring in page titles.

See also:

• TitleIndex -- a shorter index

• FindPage -- find content or explore the wiki

A | B | C | D | E | F | G | H | I | K | M | N | O | P | R | S | T | U
Include system pages

A

• About us

• Develop/noxci/DirectInterActEx1

• Develop/noxci/DirectInterAct1

• Alternative of TD-DFT: particle-particle TDA (pp-TDA)
• Alternative of TD-DFT: particle-particle TDA (pp-TDA) based properties

B

• Bingbing Suo

• QBioMain

• Electronic states of IBr+ from IBr as reference

C

• Change the amount of HF exchange in functionals

• Closed-shell Systems : R-TD-DFT

• Conical intersection

D

• pp-TDA: the Tamm-Dancoff approximation to pp-RPA

• Define your own basis set

• Develop
• Develop/Typedef
• Develop/c_util
• Develop/c_util/timing
• Develop/c_util/x_timing
• Develop/math_cutil
• Develop/math_cutil/prtFmt
• Develop/math_cutil/x_dgeprint
• Develop/noxci
• Develop/noxci/DSCFINFO
• Develop/noxci/DirectInterAct1
• Develop/noxci/DirectInterActEx1
• Develop/noxci/DscfInit
• Develop/noxci/no0ci
• Develop/noxci/no1ci
• Develop/noxci/no3ci

• Develop/noxci/DirectInterAct1
• Develop/noxci/DirectInterActEx1

• Download

• Develop/noxci/DscfInit

E

• Elecoup

• Electronic states of IBr+ from IBr as reference

• Develop/noxci/DirectInterActEx1

• Examples: first-order nonadiabatic couplings

• Excitation analyze based on molecular fragments

• Excited state opt
• Excited-state properties based on analytic derivatives

F

• Develop/math_cutil/prtFmt

• For BDF developers

G

• Plot Gaussian-broadened spectra

• Ground-state geometric derivatives
• Ground-state opt

H

• How to add a new module into BDF package?

I

• Develop/noxci/DscfInit

• Installation

• Develop/noxci/DirectInterAct1
• Develop/noxci/DirectInterActEx1

• Intersystem crossing

• Introduction

K

• KnownProblems

• TD-DFT with SOC: Kramers pairs

M

• QBioMain

• PCMinput

N

• Nto analyze

O

• Open-shell Systems : Spin-flip TD-DFT for spin-flip excitations
• Open-shell Systems : U-TD-DFT and spin-adapted TD-DFT for spin-conserving excitations

P

• Plot Gaussian-broadened spectra

• KnownProblems

R

• Response properties based on response functions

S

• Open-shell Systems : Spin-flip TD-DFT for spin-flip excitations

• Bingbing Suo

• Closed-shell Systems : R-TD-DFT
• Open-shell Systems : Spin-flip TD-DFT for spin-flip excitations
• Open-shell Systems : U-TD-DFT and spin-adapted TD-DFT for spin-conserving excitations

T

• pp-TDA: the Tamm-Dancoff approximation to pp-RPA

• Traint

• Transition state

• Develop/Typedef

U

• User defined basis
• User's guide