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

See also:

• TitleIndex -- a shorter index

• FindPage -- find content or explore the wiki

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

A

About

• About us

Act

• Develop/noxci/DirectInterActEx1

Act1

• Develop/noxci/DirectInterAct1

Alternative

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

B

Bingbing

• Bingbing Suo

Bio

• QBioMain

Br

• Electronic states of IBr+ from IBr as reference

C

Change

• Change the amount of HF exchange in functionals

Closed

• Closed-shell Systems : R-TD-DFT

Conical

• Conical intersection

D

Dancoff

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

Define

• Define your own basis set

Develop

• 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

Direct

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

• Download

Dscf

• Develop/noxci/DscfInit

E

• Elecoup

Electronic

• Electronic states of IBr+ from IBr as reference

Ex1

• Develop/noxci/DirectInterActEx1

Examples

• Examples: first-order nonadiabatic couplings

Excitation

• Excitation analyze based on molecular fragments

Excited

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

F

Fmt

• Develop/math_cutil/prtFmt

For

• For BDF developers

G

Gaussian

• Plot Gaussian-broadened spectra

Ground

• Ground-state geometric derivatives
• Ground-state opt

H

How

• How to add a new module into BDF package?

I

Init

• Develop/noxci/DscfInit

• Installation

Inter

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

Intersystem

• Intersystem crossing

• Introduction

K

Known

• KnownProblems

Kramers

• TD-DFT with SOC: Kramers pairs

M

Main

• QBioMain

Minput

• PCMinput

N

Nto

• Nto analyze

O

Open

• 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

• Plot Gaussian-broadened spectra

Problems

• KnownProblems

R

Response

• Response properties based on response functions

S

Spin

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

Suo

• Bingbing Suo

Systems

• 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

Tamm

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

• Traint

Transition

• Transition state

Typedef

• Develop/Typedef

U

User

• User defined basis
• User's guide